N-[(4R,5R)-8-methoxy-1-(4-methylphenyl)sulfonyl-5-oxidanyl-2,3,4,5-tetrahydro-1-benzazepin-4-yl]propanamide

Systemtic Name: N-[(4R,5R)-8-methoxy-1-(4-methylphenyl)sulfonyl-5-oxidanyl-2,3,4,5-tetrahydro-1-benzazepin-4-yl]propanamide Openeye Name: N-[(4R,5R)-5-hydroxy-8-methoxy-1-(p-tolylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-4-yl]propanamide CAS Name: N-[(4R,5R)-5-hydroxy-8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-4-yl]propanamide IUPAC Name: N-[(4R,5R)-5-hydroxy-8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-4-yl]propanamide Traditional Name: N-[(4R,5R)-5-hydroxy-8-methoxy-1-tosyl-2,3,4,5-tetrahydro-1-benzazepin-4-yl]propionamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CCN(C2=C(C1O)C=CC(=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(=O)N[C@@H]1CCN(C2=C([C@H]1O)C=CC(=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N2O5S/c1-4-20(24)22-18-11-12-23(29(26,27)16-8-5-14(2)6-9-16)19-13-15(28-3)7-10-17(19)21(18)25/h5-10,13,18,21,25H,4,11-12H2,1-3H3,(H,22,24)/t18-,21-/m1/s1