N-[5-(1,4-diazepan-1-yl)-2-(phenylsulfonyl)phenyl]-N-methyl-ethanamide

Systemtic Name: N-[5-(1,4-diazepan-1-yl)-2-(phenylsulfonyl)phenyl]-N-methyl-ethanamide Openeye Name: N-[2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)phenyl]-N-methyl-acetamide CAS Name: N-[2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)phenyl]-N-methylacetamide IUPAC Name: N-[2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)phenyl]-N-methylacetamide Traditional Name: N-[2-besyl-5-(1,4-diazepan-1-yl)phenyl]-N-methyl-acetamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N(C)C1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-16(24)22(2)19-15-17(23-13-6-11-21-12-14-23)9-10-20(19)27(25,26)18-7-4-3-5-8-18/h3-5,7-10,15,21H,6,11-14H2,1-2H3