1-(4-azanylcyclohexyl)carbonyl-4-(6-chloranylnaphthalen-2-yl)sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-(4-azanylcyclohexyl)carbonyl-4-(6-chloranylnaphthalen-2-yl)sulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-(4-aminocyclohexanecarbonyl)-4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-2-carboxylic acid CAS Name: 1-[(4-aminocyclohexyl)-oxomethyl]-4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-piperazinecarboxylic acid IUPAC Name: 1-(4-aminocyclohexanecarbonyl)-4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylic acid Traditional Name: 1-(4-aminocyclohexanecarbonyl)-4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-2-carboxylic acid Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)N2CCN(CC2C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)N

Isomeric SMILES

C1CC(CCC1C(=O)N2CCN(CC2C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)N

InChI

InChI=1S/C22H26ClN3O5S/c23-17-5-1-16-12-19(8-4-15(16)11-17)32(30,31)25-9-10-26(20(13-25)22(28)29)21(27)14-2-6-18(24)7-3-14/h1,4-5,8,11-12,14,18,20H,2-3,6-7,9-10,13,24H2,(H,28,29)