N-[4-(benzotriazol-1-yl)piperidin-1-yl]sulfonyl-4-chloranyl-3-(thiophen-2-ylmethyl)benzamide

Systemtic Name: N-[4-(benzotriazol-1-yl)piperidin-1-yl]sulfonyl-4-chloranyl-3-(thiophen-2-ylmethyl)benzamide Openeye Name: N-[[4-(benzotriazol-1-yl)-1-piperidyl]sulfonyl]-4-chloro-3-(2-thienylmethyl)benzamide CAS Name: N-[[4-(1-benzotriazolyl)-1-piperidinyl]sulfonyl]-4-chloro-3-(thiophen-2-ylmethyl)benzamide IUPAC Name: N-[4-(benzotriazol-1-yl)piperidin-1-yl]sulfonyl-4-chloro-3-(thiophen-2-ylmethyl)benzamide Traditional Name: N-[4-(benzotriazol-1-yl)piperidino]sulfonyl-4-chloro-3-(2-thenyl)benzamide Formula: C23H22ClN5O3S2 MolecularWeight: 516.03548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3N=N2)S(=O)(=O)NC(=O)C4=CC(=C(C=C4)Cl)CC5=CC=CS5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3N=N2)S(=O)(=O)NC(=O)C4=CC(=C(C=C4)Cl)CC5=CC=CS5

InChI

InChI=1S/C23H22ClN5O3S2/c24-20-8-7-16(14-17(20)15-19-4-3-13-33-19)23(30)26-34(31,32)28-11-9-18(10-12-28)29-22-6-2-1-5-21(22)25-27-29/h1-8,13-14,18H,9-12,15H2,(H,26,30)