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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-phenyl-triazole-4-carboxamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=NN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O4S/c1-31-21-12-11-18(32(29,30)26-13-7-2-3-8-14-26)15-19(21)24-22(28)20-16-23-27(25-20)17-9-5-4-6-10-17/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3,(H,24,28)