ethyl (E)-3-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-cyano-acrylic acid ethyl ester Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl)/C#N

InChI

InChI=1S/C18H22ClN3O4S/c1-2-26-18(23)14(12-20)13-21-17-11-15(7-8-16(17)19)27(24,25)22-9-5-3-4-6-10-22/h7-8,11,13,21H,2-6,9-10H2,1H3/b14-13+