N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(imidazol-1-ylmethyl)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(imidazol-1-ylmethyl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(imidazol-1-ylmethyl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(1-imidazolylmethyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(imidazol-1-ylmethyl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(imidazol-1-ylmethyl)benzamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=CN=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=CN=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N4O3S/c1-19-6-11-22(16-23(19)32(30,31)28-13-4-2-3-5-14-28)26-24(29)21-9-7-20(8-10-21)17-27-15-12-25-18-27/h6-12,15-16,18H,2-5,13-14,17H2,1H3,(H,26,29)