N-[(6-chloranylpyridin-2-yl)methylsulfinyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: N-[(6-chloranylpyridin-2-yl)methylsulfinyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[(6-chloro-2-pyridyl)methylsulfinyl]-1-isobutyl-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[(6-chloro-2-pyridinyl)methylsulfinyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[(6-chloropyridin-2-yl)methylsulfinyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[(6-chloro-2-pyridyl)methylsulfinyl]-1-isobutyl-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)N(C3=CC=CC=C3)S(=O)CC4=NC(=CC=C4)Cl

Isomeric SMILES

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)N(C3=CC=CC=C3)S(=O)CC4=NC(=CC=C4)Cl

InChI

InChI=1S/C27H28ClN3O2S/c1-20(2)18-30-16-15-22(17-21-9-6-7-13-25(21)30)27(32)31(24-11-4-3-5-12-24)34(33)19-23-10-8-14-26(28)29-23/h3-14,17,20H,15-16,18-19H2,1-2H3