N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(N=C2C)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(N=C2C)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H27N5O3S/c1-17-12-13-19(16-21(17)32(30,31)27-14-8-3-4-9-15-27)24-23(29)22-18(2)25-28(26-22)20-10-6-5-7-11-20/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H,24,29)