2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]-4-(phenylsulfonyl)butanoic acid

Systemtic Name: 2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]-4-(phenylsulfonyl)butanoic acid Openeye Name: 4-(benzenesulfonyl)-2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]butanoic acid CAS Name: 4-(benzenesulfonyl)-2-[[1-[[(3-ethoxycarbonylcyclohexyl)amino]-oxomethyl]cyclopentyl]methyl]butanoic acid IUPAC Name: 4-(benzenesulfonyl)-2-[[1-[(3-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]butanoic acid Traditional Name: 4-besyl-2-[[1-[(3-carbethoxycyclohexyl)carbamoyl]cyclopentyl]methyl]butyric acid Formula: C26H37NO7S MolecularWeight: 507.63948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC(C1)NC(=O)C2(CCCC2)CC(CCS(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1CCCC(C1)NC(=O)C2(CCCC2)CC(CCS(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H37NO7S/c1-2-34-24(30)19-9-8-10-21(17-19)27-25(31)26(14-6-7-15-26)18-20(23(28)29)13-16-35(32,33)22-11-4-3-5-12-22/h3-5,11-12,19-21H,2,6-10,13-18H2,1H3,(H,27,31)(H,28,29)