2-[(Z)-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]amino]sulfonylbenzoic acid

Systemtic Name: 2-[(Z)-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]amino]sulfonylbenzoic acid Openeye Name: 2-[(Z)-[5-(1-tert-butoxycarbonyl-4-piperidyl)-3-(1-naphthylmethyl)thiazol-2-ylidene]amino]sulfonylbenzoic acid CAS Name: 2-[(Z)-[5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-3-(1-naphthalenylmethyl)-2-thiazolylidene]amino]sulfonylbenzoic acid IUPAC Name: 2-[(Z)-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]amino]sulfonylbenzoic acid Traditional Name: 2-[(Z)-[5-(1-tert-butoxycarbonyl-4-piperidyl)-3-(1-naphthylmethyl)-4-thiazolin-2-ylidene]amino]sulfonylbenzoic acid Formula: C31H33N3O6S2 MolecularWeight: 607.74022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CN(C(=NS(=O)(=O)C3=CC=CC=C3C(=O)O)S2)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CN(/C(=N/S(=O)(=O)C3=CC=CC=C3C(=O)O)/S2)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H33N3O6S2/c1-31(2,3)40-30(37)33-17-15-22(16-18-33)26-20-34(19-23-11-8-10-21-9-4-5-12-24(21)23)29(41-26)32-42(38,39)27-14-7-6-13-25(27)28(35)36/h4-14,20,22H,15-19H2,1-3H3,(H,35,36)/b32-29-