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

Systemtic Name: (Z)-3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]prop-2-enoic acid Openeye Name: (Z)-3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]prop-2-enoic acid CAS Name: (Z)-3-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-propenoic acid IUPAC Name: (Z)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid Traditional Name: (Z)-3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]acrylic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C\C(=O)O)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H21NO4S/c1-13-6-7-14(8-9-16(18)19)12-15(13)22(20,21)17-10-4-2-3-5-11-17/h6-9,12H,2-5,10-11H2,1H3,(H,18,19)/b9-8-