5-(1,4-diazepan-1-yl)-2-(phenylsulfonyl)-N-propyl-aniline

Systemtic Name: 5-(1,4-diazepan-1-yl)-2-(phenylsulfonyl)-N-propyl-aniline Openeye Name: 2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)-N-propyl-aniline CAS Name: 2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)-N-propylaniline IUPAC Name: 2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)-N-propylaniline Traditional Name: [2-besyl-5-(1,4-diazepan-1-yl)phenyl]-propyl-amine Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCNC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3O2S/c1-2-11-22-19-16-17(23-14-6-12-21-13-15-23)9-10-20(19)26(24,25)18-7-4-3-5-8-18/h3-5,7-10,16,21-22H,2,6,11-15H2,1H3