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

Systemtic Name: 5-(4-methyl-1,4-diazepan-1-yl)-2-(phenylsulfonyl)-N-propyl-aniline Openeye Name: 2-(benzenesulfonyl)-5-(4-methyl-1,4-diazepan-1-yl)-N-propyl-aniline CAS Name: 2-(benzenesulfonyl)-5-(4-methyl-1,4-diazepan-1-yl)-N-propylaniline IUPAC Name: 2-(benzenesulfonyl)-5-(4-methyl-1,4-diazepan-1-yl)-N-propylaniline Traditional Name: [2-besyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-propyl-amine Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=CC(=C1)N2CCCN(CC2)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCNC1=C(C=CC(=C1)N2CCCN(CC2)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O2S/c1-3-12-22-20-17-18(24-14-7-13-23(2)15-16-24)10-11-21(20)27(25,26)19-8-5-4-6-9-19/h4-6,8-11,17,22H,3,7,12-16H2,1-2H3