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

Systemtic Name: N,N-diethyl-5-(4-methyl-1,4-diazepan-1-yl)-2-(phenylsulfonyl)aniline Openeye Name: 2-(benzenesulfonyl)-N,N-diethyl-5-(4-methyl-1,4-diazepan-1-yl)aniline CAS Name: 2-(benzenesulfonyl)-N,N-diethyl-5-(4-methyl-1,4-diazepan-1-yl)aniline IUPAC Name: 2-(benzenesulfonyl)-N,N-diethyl-5-(4-methyl-1,4-diazepan-1-yl)aniline Traditional Name: [2-besyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-diethyl-amine Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O2S/c1-4-24(5-2)21-18-19(25-15-9-14-23(3)16-17-25)12-13-22(21)28(26,27)20-10-7-6-8-11-20/h6-8,10-13,18H,4-5,9,14-17H2,1-3H3