1-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C(=O)O

InChI

InChI=1S/C22H32N2O5S/c25-20(17-22(21(26)27)12-5-1-2-6-13-22)23-18-10-9-11-19(16-18)30(28,29)24-14-7-3-4-8-15-24/h9-11,16H,1-8,12-15,17H2,(H,23,25)(H,26,27)