1-[[5-(4-methylpiperidin-1-yl)carbonyl-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[5-(4-methylpiperidin-1-yl)carbonyl-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxylic acid Openeye Name: 1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[[5-[(4-methyl-1-piperidinyl)-oxomethyl]-1H-pyrrol-3-yl]sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxylic acid Traditional Name: 1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]nipecotic acid Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C17H25N3O5S/c1-12-4-7-19(8-5-12)16(21)15-9-14(10-18-15)26(24,25)20-6-2-3-13(11-20)17(22)23/h9-10,12-13,18H,2-8,11H2,1H3,(H,22,23)