4-methyl-N-[(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-butan-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-butan-2-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[(1S)-2-methyl-1-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]propyl]benzenesulfonamide CAS Name: 4-methyl-N-[(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxobutan-2-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxobutan-2-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[(1S)-2-methyl-1-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]propyl]benzenesulfonamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)N2CCCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)N2CCCN(CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C25H35N3O3S/c1-19(2)24(26-32(30,31)23-12-10-20(3)11-13-23)25(29)28-15-7-14-27(16-17-28)18-22-9-6-5-8-21(22)4/h5-6,8-13,19,24,26H,7,14-18H2,1-4H3/t24-/m0/s1