(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C15H19NO4S/c17-15(18)10-7-13-5-8-14(9-6-13)21(19,20)16-11-3-1-2-4-12-16/h5-10H,1-4,11-12H2,(H,17,18)/b10-7+