ethyl (E)-3-[4-[(1-methylsulfonylpiperidin-3-yl)carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(1-methylsulfonylpiperidin-3-yl)carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(1-methylsulfonylpiperidine-3-carbonyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[(1-methylsulfonyl-3-piperidinyl)-oxomethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(1-methylsulfonylpiperidine-3-carbonyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(1-mesylnipecotoyl)amino]phenyl]acrylic acid ethyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C18H24N2O5S/c1-3-25-17(21)11-8-14-6-9-16(10-7-14)19-18(22)15-5-4-12-20(13-15)26(2,23)24/h6-11,15H,3-5,12-13H2,1-2H3,(H,19,22)/b11-8+