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

Systemtic Name: 2-methyl-N-[4-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: 2-methyl-N-[3-methyl-1-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]butyl]benzamide CAS Name: 2-methyl-N-[4-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopentan-2-yl]benzamide IUPAC Name: 2-methyl-N-[4-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopentan-2-yl]benzamide Traditional Name: 2-methyl-N-[3-methyl-1-(4-tosyl-1,4-diazepane-1-carbonyl)butyl]benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C(CC(C)C)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C(CC(C)C)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C26H35N3O4S/c1-19(2)18-24(27-25(30)23-9-6-5-8-21(23)4)26(31)28-14-7-15-29(17-16-28)34(32,33)22-12-10-20(3)11-13-22/h5-6,8-13,19,24H,7,14-18H2,1-4H3,(H,27,30)