(1S)-2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S)-2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S)-2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S)-2-[[4-(1-azepanylsulfonyl)anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S)-2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S)-2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCC[C@@H]3C(=O)O

InChI

InChI=1S/C20H28N2O5S/c23-19(17-7-3-4-8-18(17)20(24)25)21-15-9-11-16(12-10-15)28(26,27)22-13-5-1-2-6-14-22/h9-12,17-18H,1-8,13-14H2,(H,21,23)(H,24,25)/t17?,18-/m0/s1