1-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)N3CCCC4=C(C=CC=C43)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

InChI

InChI=1S/C25H28N2O5S/c28-24(27-18-6-8-21-22(25(29)30)7-5-9-23(21)27)15-12-19-10-13-20(14-11-19)33(31,32)26-16-3-1-2-4-17-26/h5,7,9-15H,1-4,6,8,16-18H2,(H,29,30)/b15-12+