[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (3-pyrrolidinosulfonylphenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H29N3O5S2/c1-19-8-10-21(11-9-19)32(28,29)26-15-5-12-24(16-17-26)23(27)20-6-4-7-22(18-20)33(30,31)25-13-2-3-14-25/h4,6-11,18H,2-3,5,12-17H2,1H3