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

Systemtic Name: [3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]sulfonyl 2-propylpiperidine-1-carboxylate Openeye Name: (3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)sulfonyl 2-propylpiperidine-1-carboxylate CAS Name: 2-propyl-1-piperidinecarboxylic acid [3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]sulfonyl ester IUPAC Name: (3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)sulfonyl 2-propylpiperidine-1-carboxylate Traditional Name: 2-propylpiperidine-1-carboxylic acid (3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)sulfonyl ester Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCCN1C(=O)OS(=O)(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

CCCC1CCCCN1C(=O)OS(=O)(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C26H34N2O4S/c1-2-8-24-11-6-7-16-28(24)26(29)32-33(30,31)25-13-12-22-14-17-27(18-15-23(22)19-25)20-21-9-4-3-5-10-21/h3-5,9-10,12-13,19,24H,2,6-8,11,14-18,20H2,1H3