methyl 3-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H31N3O5S/c1-18-8-9-19(17-23(18)34(31,32)28-14-4-3-5-15-28)24(29)26-21-16-20(25(30)33-2)10-11-22(21)27-12-6-7-13-27/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,26,29)