(2-azanyl-2-oxidanylidene-ethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (2-amino-2-oxo-ethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (2-amino-2-keto-ethyl) ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)N

InChI

InChI=1S/C17H22N2O5S/c18-16(20)13-24-17(21)10-7-14-5-8-15(9-6-14)25(22,23)19-11-3-1-2-4-12-19/h5-10H,1-4,11-13H2,(H2,18,20)