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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S/c1-17-21(25-27(24-17)19-11-5-4-6-12-19)22(28)23-18-10-9-13-20(16-18)31(29,30)26-14-7-2-3-8-15-26/h4-6,9-13,16H,2-3,7-8,14-15H2,1H3,(H,23,28)