N-[3-[(4-methoxyphenyl)-(3-piperidin-1-ylsulfonylphenyl)carbonyl-sulfamoyl]-4-pyrrolidin-1-yl-phenyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-[(4-methoxyphenyl)-(3-piperidin-1-ylsulfonylphenyl)carbonyl-sulfamoyl]-4-pyrrolidin-1-yl-phenyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-[(4-methoxyphenyl)-[3-(1-piperidylsulfonyl)benzoyl]sulfamoyl]-4-pyrrolidin-1-yl-phenyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-[(4-methoxyphenyl)-[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]sulfamoyl]-4-(1-pyrrolidinyl)phenyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-[(4-methoxyphenyl)-(3-piperidin-1-ylsulfonylbenzoyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-[(4-methoxyphenyl)-(3-piperidinosulfonylbenzoyl)sulfamoyl]-4-pyrrolidino-phenyl]-3-piperidinosulfonyl-benzamide Formula: C41H47N5O9S3 MolecularWeight: 850.03498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)S(=O)(=O)N6CCCCC6)N7CCCC7

Isomeric SMILES

COC1=CC=C(C=C1)N(C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)S(=O)(=O)N6CCCCC6)N7CCCC7

InChI

InChI=1S/C41H47N5O9S3/c1-55-35-19-17-34(18-20-35)46(41(48)32-13-11-15-37(29-32)57(51,52)45-26-6-3-7-27-45)58(53,54)39-30-33(16-21-38(39)43-22-8-9-23-43)42-40(47)31-12-10-14-36(28-31)56(49,50)44-24-4-2-5-25-44/h10-21,28-30H,2-9,22-27H2,1H3,(H,42,47)