2-methyl-N-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 2-methyl-N-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-methyl-N-[6-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 2-methyl-N-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 2-methyl-N-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 2-methyl-N-[6-(4-tosyl-1,4-diazepan-1-yl)-3-pyridyl]benzamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C25H28N4O3S/c1-19-8-11-22(12-9-19)33(31,32)29-15-5-14-28(16-17-29)24-13-10-21(18-26-24)27-25(30)23-7-4-3-6-20(23)2/h3-4,6-13,18H,5,14-17H2,1-2H3,(H,27,30)