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

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-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=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S2/c1-19-5-9-21(10-6-19)33(30,31)26-16-4-13-24(17-18-26)23(27)20-7-11-22(12-8-20)32(28,29)25-14-2-3-15-25/h5-12H,2-4,13-18H2,1H3