N-(3-methylphenyl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxy-propanamide

Systemtic Name: N-(3-methylphenyl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxy-propanamide Openeye Name: 2-[6-[(3-methyl-1-piperidyl)sulfonyl]benzotriazol-1-yl]oxy-N-(m-tolyl)propanamide CAS Name: N-(3-methylphenyl)-2-[[6-[(3-methyl-1-piperidinyl)sulfonyl]-1-benzotriazolyl]oxy]propanamide IUPAC Name: N-(3-methylphenyl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxypropanamide Traditional Name: 2-[6-(3-methylpiperidino)sulfonylbenzotriazol-1-yl]oxy-N-(m-tolyl)propionamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OC(C)C(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OC(C)C(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C22H27N5O4S/c1-15-6-4-8-18(12-15)23-22(28)17(3)31-27-21-13-19(9-10-20(21)24-25-27)32(29,30)26-11-5-7-16(2)14-26/h4,6,8-10,12-13,16-17H,5,7,11,14H2,1-3H3,(H,23,28)