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

Systemtic Name: N-[3-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide Openeye Name: N-[2-methyl-1-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]propyl]cyclohexanecarboxamide CAS Name: N-[3-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxobutan-2-yl]cyclohexanecarboxamide IUPAC Name: N-[3-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxobutan-2-yl]cyclohexanecarboxamide Traditional Name: N-[2-methyl-1-(4-tosyl-1,4-diazepane-1-carbonyl)propyl]cyclohexanecarboxamide Formula: C24H37N3O4S MolecularWeight: 463.63328

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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)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C(C(C)C)NC(=O)C3CCCCC3

InChI

InChI=1S/C24H37N3O4S/c1-18(2)22(25-23(28)20-8-5-4-6-9-20)24(29)26-14-7-15-27(17-16-26)32(30,31)21-12-10-19(3)11-13-21/h10-13,18,20,22H,4-9,14-17H2,1-3H3,(H,25,28)