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

Systemtic Name: ethyl (E)-3-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[3-(azepan-1-ylsulfonyl)anilino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-(1-azepanylsulfonyl)anilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-(azepan-1-ylsulfonyl)anilino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-(azepan-1-ylsulfonyl)anilino]-2-cyano-acrylic acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-2-25-18(22)15(13-19)14-20-16-8-7-9-17(12-16)26(23,24)21-10-5-3-4-6-11-21/h7-9,12,14,20H,2-6,10-11H2,1H3/b15-14+