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

Systemtic Name: N-[5-(1,4-diazepan-1-yl)-2-(phenylsulfonyl)phenyl]-N-ethyl-ethanamide Openeye Name: N-[2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)phenyl]-N-ethyl-acetamide CAS Name: N-[2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)phenyl]-N-ethylacetamide IUPAC Name: N-[2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)phenyl]-N-ethylacetamide Traditional Name: N-[2-besyl-5-(1,4-diazepan-1-yl)phenyl]-N-ethyl-acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-3-24(17(2)25)20-16-18(23-14-7-12-22-13-15-23)10-11-21(20)28(26,27)19-8-5-4-6-9-19/h4-6,8-11,16,22H,3,7,12-15H2,1-2H3