4-methyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-propyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-propyl]-4-methyl-benzenesulfonamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-19-8-10-21(11-9-19)29(27,28)23-13-12-22(26)25-15-5-14-24(16-17-25)18-20-6-3-2-4-7-20/h2-4,6-11,23H,5,12-18H2,1H3