2-[3-[(5-chloranyl-1H-indol-2-yl)sulfonyl]propanoyl]-2-(methylamino)piperidine-1-carboxylic acid

Systemtic Name: 2-[3-[(5-chloranyl-1H-indol-2-yl)sulfonyl]propanoyl]-2-(methylamino)piperidine-1-carboxylic acid Openeye Name: 2-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]-2-(methylamino)piperidine-1-carboxylic acid CAS Name: 2-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-oxopropyl]-2-(methylamino)-1-piperidinecarboxylic acid IUPAC Name: 2-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]-2-(methylamino)piperidine-1-carboxylic acid Traditional Name: 2-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]-2-(methylamino)piperidine-1-carboxylic acid Formula: C18H22ClN3O5S MolecularWeight: 427.90238

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Descriptors Computed from Structure

Canonical SMILES:

CNC1(CCCCN1C(=O)O)C(=O)CCS(=O)(=O)C2=CC3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CNC1(CCCCN1C(=O)O)C(=O)CCS(=O)(=O)C2=CC3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C18H22ClN3O5S/c1-20-18(7-2-3-8-22(18)17(24)25)15(23)6-9-28(26,27)16-11-12-10-13(19)4-5-14(12)21-16/h4-5,10-11,20-21H,2-3,6-9H2,1H3,(H,24,25)