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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(dimethylamino)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(dimethylamino)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(dimethylamino)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(dimethylamino)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(dimethylamino)benzamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-17-11-12-19(23-22(26)18-9-8-10-20(15-18)24(2)3)16-21(17)29(27,28)25-13-6-4-5-7-14-25/h8-12,15-16H,4-7,13-14H2,1-3H3,(H,23,26)