[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C23H34N2O6S MolecularWeight: 466.59086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCCC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCCC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H34N2O6S/c1-30-20-12-11-19(15-21(20)32(28,29)25-13-7-2-3-8-14-25)23(27)31-17-22(26)24-16-18-9-5-4-6-10-18/h11-12,15,18H,2-10,13-14,16-17H2,1H3,(H,24,26)