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

Systemtic Name: N-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxy-ethanamide Openeye Name: 2-phenoxy-N-[6-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-3-pyridyl]acetamide CAS Name: N-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide IUPAC Name: N-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxyacetamide Traditional Name: 2-phenoxy-N-[6-(4-tosyl-1,4-diazepan-1-yl)-3-pyridyl]acetamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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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)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4S/c1-20-8-11-23(12-9-20)34(31,32)29-15-5-14-28(16-17-29)24-13-10-21(18-26-24)27-25(30)19-33-22-6-3-2-4-7-22/h2-4,6-13,18H,5,14-17,19H2,1H3,(H,27,30)