7-[6-[(4-chloranylphenoxy)methyl]pyridin-3-yl]sulfonyl-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 7-[6-[(4-chloranylphenoxy)methyl]pyridin-3-yl]sulfonyl-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 7-[[6-[(4-chlorophenoxy)methyl]-3-pyridyl]sulfonyl]-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 7-[[6-[(4-chlorophenoxy)methyl]-3-pyridinyl]sulfonyl]-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 7-[6-[(4-chlorophenoxy)methyl]pyridin-3-yl]sulfonyl-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 7-[[6-[(4-chlorophenoxy)methyl]-3-pyridyl]sulfonyl]-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine Formula: C24H25ClN2O4S MolecularWeight: 472.9843

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2CC1)S(=O)(=O)C3=CN=C(C=C3)COC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

CN1CCC2=CC(=C(C=C2CC1)S(=O)(=O)C3=CN=C(C=C3)COC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C24H25ClN2O4S/c1-27-11-9-17-13-23(30-2)24(14-18(17)10-12-27)32(28,29)22-8-5-20(26-15-22)16-31-21-6-3-19(25)4-7-21/h3-8,13-15H,9-12,16H2,1-2H3