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

Systemtic Name: N-[6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxy-ethanamide Openeye Name: N-[6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridyl]-2-phenoxy-acetamide CAS Name: N-[6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide IUPAC Name: N-[6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxyacetamide Traditional Name: N-[6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridyl]-2-phenoxy-acetamide Formula: C24H25FN4O4S MolecularWeight: 484.543103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C24H25FN4O4S/c25-19-7-10-22(11-8-19)34(31,32)29-14-4-13-28(15-16-29)23-12-9-20(17-26-23)27-24(30)18-33-21-5-2-1-3-6-21/h1-3,5-12,17H,4,13-16,18H2,(H,27,30)