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

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N2O6S/c1-28-18-11-10-16(21(25)29-15-20(24)22-17-8-4-5-9-17)14-19(18)30(26,27)23-12-6-2-3-7-13-23/h10-11,14,17H,2-9,12-13,15H2,1H3,(H,22,24)