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

Systemtic Name: 5-(1,4-diazepan-1-yl)-2-(phenylsulfonyl)-N,N-dipropyl-aniline Openeye Name: 2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)-N,N-dipropyl-aniline CAS Name: 2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)-N,N-dipropylaniline IUPAC Name: 2-(benzenesulfonyl)-5-(1,4-diazepan-1-yl)-N,N-dipropylaniline Traditional Name: [2-besyl-5-(1,4-diazepan-1-yl)phenyl]-dipropyl-amine Formula: C23H33N3O2S MolecularWeight: 415.59202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2S/c1-3-15-26(16-4-2)22-19-20(25-17-8-13-24-14-18-25)11-12-23(22)29(27,28)21-9-6-5-7-10-21/h5-7,9-12,19,24H,3-4,8,13-18H2,1-2H3