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

Systemtic Name: N-[5-(1,4-diazepan-1-yl)-2-(phenylsulfonyl)phenyl]-N-propyl-ethanamide Openeye Name: N-[2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)phenyl]-N-propyl-acetamide CAS Name: N-[2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)phenyl]-N-propylacetamide IUPAC Name: N-[2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)phenyl]-N-propylacetamide Traditional Name: N-[2-besyl-5-(1,4-diazepan-1-yl)phenyl]-N-propyl-acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-3-14-25(18(2)26)21-17-19(24-15-7-12-23-13-16-24)10-11-22(21)29(27,28)20-8-5-4-6-9-20/h4-6,8-11,17,23H,3,7,12-16H2,1-2H3