3-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: 3-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]prop-2-enoic acid Openeye Name: 3-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]prop-2-enoic acid CAS Name: 3-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-propenoic acid IUPAC Name: 3-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]prop-2-enoic acid Traditional Name: 3-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]acrylic acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C=CC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C=CC(=O)O

InChI

InChI=1S/C16H21NO5S/c1-22-15-8-7-14(12-13(15)6-9-16(18)19)23(20,21)17-10-4-2-3-5-11-17/h6-9,12H,2-5,10-11H2,1H3,(H,18,19)