2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-[4-(1-pyrrolidinylmethyl)phenyl]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide Traditional Name: N-[4-(pyrrolidinomethyl)phenyl]-2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)CN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)CN4CCCC4

InChI

InChI=1S/C25H34N4O3S/c1-21-5-11-24(12-6-21)33(31,32)29-16-4-15-28(17-18-29)20-25(30)26-23-9-7-22(8-10-23)19-27-13-2-3-14-27/h5-12H,2-4,13-20H2,1H3,(H,26,30)