N-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Openeye Name: N-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-4-[(p-tolylsulfonylamino)methyl]cyclohexanecarboxamide CAS Name: N-[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]-4-[[(4-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Traditional Name: N-[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-4-[(tosylamino)methyl]cyclohexanecarboxamide Formula: C24H37N3O4S MolecularWeight: 463.63328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)N[C@H](C)C(=O)N3CCCCCC3

InChI

InChI=1S/C24H37N3O4S/c1-18-7-13-22(14-8-18)32(30,31)25-17-20-9-11-21(12-10-20)23(28)26-19(2)24(29)27-15-5-3-4-6-16-27/h7-8,13-14,19-21,25H,3-6,9-12,15-17H2,1-2H3,(H,26,28)/t19-,20?,21?/m1/s1