[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] (E)-pent-2-enoate

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] (E)-pent-2-enoate Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CC/C=C/C(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C20H28N2O6S/c1-3-4-9-20(24)28-15-19(23)21-17-14-16(10-11-18(17)27-2)29(25,26)22-12-7-5-6-8-13-22/h4,9-11,14H,3,5-8,12-13,15H2,1-2H3,(H,21,23)/b9-4+