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

Systemtic Name: N-[5-(4-methyl-1,4-diazepan-1-yl)-2-(phenylsulfonyl)phenyl]-N-propyl-ethanamide Openeye Name: N-[2-(benzenesulfonyl)-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propyl-acetamide CAS Name: N-[2-(benzenesulfonyl)-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propylacetamide IUPAC Name: N-[2-(benzenesulfonyl)-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propylacetamide Traditional Name: N-[2-besyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propyl-acetamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=CC(=C1)N2CCCN(CC2)C)S(=O)(=O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCCN(C1=C(C=CC(=C1)N2CCCN(CC2)C)S(=O)(=O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C23H31N3O3S/c1-4-13-26(19(2)27)22-18-20(25-15-8-14-24(3)16-17-25)11-12-23(22)30(28,29)21-9-6-5-7-10-21/h5-7,9-12,18H,4,8,13-17H2,1-3H3