2-chloranyl-N-[4-[[7-chloranyl-5-(2-pyridin-4-ylsulfinylethoxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methoxy-phenyl]benzamide

Systemtic Name: 2-chloranyl-N-[4-[[7-chloranyl-5-(2-pyridin-4-ylsulfinylethoxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methoxy-phenyl]benzamide Openeye Name: 2-chloro-N-[4-[7-chloro-5-[2-(4-pyridylsulfinyl)ethoxy]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxy-phenyl]benzamide CAS Name: 2-chloro-N-[4-[[7-chloro-5-(2-pyridin-4-ylsulfinylethoxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]-3-methoxyphenyl]benzamide IUPAC Name: 2-chloro-N-[4-[7-chloro-5-(2-pyridin-4-ylsulfinylethoxy)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxyphenyl]benzamide Traditional Name: 2-chloro-N-[4-[7-chloro-5-[2-(4-pyridylsulfinyl)ethoxy]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxy-phenyl]benzamide Formula: C32H29Cl2N3O5S MolecularWeight: 638.56076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2Cl)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)OCCS(=O)C5=CC=NC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2Cl)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)OCCS(=O)C5=CC=NC=C5

InChI

InChI=1S/C32H29Cl2N3O5S/c1-41-30-20-22(36-31(38)24-5-2-3-6-27(24)34)9-10-25(30)32(39)37-16-4-7-29(26-19-21(33)8-11-28(26)37)42-17-18-43(40)23-12-14-35-15-13-23/h2-3,5-6,8-15,19-20,29H,4,7,16-18H2,1H3,(H,36,38)