[2-(phenylmethyl)-1,3,4,5-tetrahydro-2-benzazepin-8-yl]sulfonyl 2-ethylpiperidine-1-carboxylate

Systemtic Name: [2-(phenylmethyl)-1,3,4,5-tetrahydro-2-benzazepin-8-yl]sulfonyl 2-ethylpiperidine-1-carboxylate Openeye Name: (2-benzyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)sulfonyl 2-ethylpiperidine-1-carboxylate CAS Name: 2-ethyl-1-piperidinecarboxylic acid [2-(phenylmethyl)-1,3,4,5-tetrahydro-2-benzazepin-8-yl]sulfonyl ester IUPAC Name: (2-benzyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)sulfonyl 2-ethylpiperidine-1-carboxylate Traditional Name: 2-ethylpiperidine-1-carboxylic acid (2-benzyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)sulfonyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)OS(=O)(=O)C2=CC3=C(CCCN(C3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

CCC1CCCCN1C(=O)OS(=O)(=O)C2=CC3=C(CCCN(C3)CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C25H32N2O4S/c1-2-23-12-6-7-16-27(23)25(28)31-32(29,30)24-14-13-21-11-8-15-26(19-22(21)17-24)18-20-9-4-3-5-10-20/h3-5,9-10,13-14,17,23H,2,6-8,11-12,15-16,18-19H2,1H3