2,5-dimethyl-N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: N-[3-keto-3-(4-tosyl-1,4-diazepan-1-yl)propyl]-2,5-dimethyl-benzenesulfonamide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S2/c1-18-6-9-21(10-7-18)33(30,31)26-14-4-13-25(15-16-26)23(27)11-12-24-32(28,29)22-17-19(2)5-8-20(22)3/h5-10,17,24H,4,11-16H2,1-3H3