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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-benzyl-triazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-benzyltriazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-benzyl-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=CN(N=N2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN(N=N2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H27N5O3S/c1-18-11-12-20(15-22(18)32(30,31)28-13-7-2-3-8-14-28)24-23(29)21-17-27(26-25-21)16-19-9-5-4-6-10-19/h4-6,9-12,15,17H,2-3,7-8,13-14,16H2,1H3,(H,24,29)