[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]sulfinyl 2-ethylpiperidine-1-carboxylate

Systemtic Name: [3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]sulfinyl 2-ethylpiperidine-1-carboxylate Openeye Name: (3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)sulfinyl 2-ethylpiperidine-1-carboxylate CAS Name: 2-ethyl-1-piperidinecarboxylic acid [3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]sulfinyl ester IUPAC Name: (3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)sulfinyl 2-ethylpiperidine-1-carboxylate Traditional Name: 2-ethylpiperidine-1-carboxylic acid (3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)sulfinyl ester Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)OS(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

CCC1CCCCN1C(=O)OS(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C25H32N2O3S/c1-2-23-10-6-7-15-27(23)25(28)30-31(29)24-12-11-21-13-16-26(17-14-22(21)18-24)19-20-8-4-3-5-9-20/h3-5,8-9,11-12,18,23H,2,6-7,10,13-17,19H2,1H3