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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-[(p-tolylsulfonylamino)methyl]cyclohexanecarboxamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-[(tosylamino)methyl]cyclohexanecarboxamide Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O4S/c1-18-6-12-21(13-7-18)31(29,30)25-16-19-8-10-20(11-9-19)23(28)24-17-22(27)26-14-4-2-3-5-15-26/h6-7,12-13,19-20,25H,2-5,8-11,14-17H2,1H3,(H,24,28)