3-[[[4-(3-aminocarbonylpiperidin-1-yl)sulfonylphenyl]carbonyl-butyl-amino]methyl]benzoic acid

Systemtic Name: 3-[[[4-(3-aminocarbonylpiperidin-1-yl)sulfonylphenyl]carbonyl-butyl-amino]methyl]benzoic acid Openeye Name: 3-[[butyl-[4-[(3-carbamoyl-1-piperidyl)sulfonyl]benzoyl]amino]methyl]benzoic acid CAS Name: 3-[[butyl-[[4-[(3-carbamoyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[butyl-[4-(3-carbamoylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoic acid Traditional Name: 3-[[butyl-[4-(3-carbamoylpiperidino)sulfonylbenzoyl]amino]methyl]benzoic acid Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC(=C1)C(=O)O)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)N

Isomeric SMILES

CCCCN(CC1=CC=CC(=C1)C(=O)O)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)N

InChI

InChI=1S/C25H31N3O6S/c1-2-3-13-27(16-18-6-4-7-20(15-18)25(31)32)24(30)19-9-11-22(12-10-19)35(33,34)28-14-5-8-21(17-28)23(26)29/h4,6-7,9-12,15,21H,2-3,5,8,13-14,16-17H2,1H3,(H2,26,29)(H,31,32)