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

Systemtic Name: 3-methyl-N-[3-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 3-methyl-N-[2-methyl-1-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]propyl]benzamide CAS Name: 3-methyl-N-[3-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxobutan-2-yl]benzamide IUPAC Name: 3-methyl-N-[3-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxobutan-2-yl]benzamide Traditional Name: 3-methyl-N-[2-methyl-1-(4-tosyl-1,4-diazepane-1-carbonyl)propyl]benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4S/c1-18(2)23(26-24(29)21-8-5-7-20(4)17-21)25(30)27-13-6-14-28(16-15-27)33(31,32)22-11-9-19(3)10-12-22/h5,7-12,17-18,23H,6,13-16H2,1-4H3,(H,26,29)