5-phenyl-8-(phenylsulfonyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol hydrochloride

Systemtic Name: 5-phenyl-8-(phenylsulfonyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol hydrochloride Openeye Name: 3-allyl-8-(benzenesulfonyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol hydrochloride CAS Name: 8-(benzenesulfonyl)-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol hydrochloride IUPAC Name: 8-(benzenesulfonyl)-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol hydrochloride Traditional Name: 3-allyl-8-besyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol hydrochloride Formula: C25H26ClNO3S MolecularWeight: 455.99684

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

C=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H25NO3S.ClH/c1-2-14-26-15-13-20-16-25(30(28,29)21-11-7-4-8-12-21)24(27)17-22(20)23(18-26)19-9-5-3-6-10-19;/h2-12,16-17,23,27H,1,13-15,18H2;1H