2-[2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]thiazol-4-yl]acetic acid Formula: C17H18ClN3O5S2 MolecularWeight: 443.92492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC(=CS3)CC(=O)O)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC(=CS3)CC(=O)O)Cl

InChI

InChI=1S/C17H18ClN3O5S2/c18-13-5-4-11(8-14(13)28(25,26)21-6-2-1-3-7-21)16(24)20-17-19-12(10-27-17)9-15(22)23/h4-5,8,10H,1-3,6-7,9H2,(H,22,23)(H,19,20,24)