N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(2,5-dimethyl-1-pyrrolyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H31N3O3S/c1-19-8-13-23(18-25(19)33(31,32)28-16-6-4-5-7-17-28)27-26(30)22-11-14-24(15-12-22)29-20(2)9-10-21(29)3/h8-15,18H,4-7,16-17H2,1-3H3,(H,27,30)