tert-butyl 3-[(1S)-2-(phenylmethyl)sulfonyl-1,3-dihydro-2-benzazepin-1-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(1S)-2-(phenylmethyl)sulfonyl-1,3-dihydro-2-benzazepin-1-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(1S)-2-benzylsulfonyl-1,3-dihydro-2-benzazepin-1-yl]indole-1-carboxylate CAS Name: 3-[(1S)-2-(phenylmethyl)sulfonyl-1,3-dihydro-2-benzazepin-1-yl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1S)-2-benzylsulfonyl-1,3-dihydro-2-benzazepin-1-yl]indole-1-carboxylate Traditional Name: 3-[(1S)-2-benzylsulfonyl-1,3-dihydro-2-benzazepin-1-yl]indole-1-carboxylic acid tert-butyl ester Formula: C30H30N2O4S MolecularWeight: 514.6352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3C4=CC=CC=C4C=CCN3S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)[C@@H]3C4=CC=CC=C4C=CCN3S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H30N2O4S/c1-30(2,3)36-29(33)31-20-26(25-17-9-10-18-27(25)31)28-24-16-8-7-14-23(24)15-11-19-32(28)37(34,35)21-22-12-5-4-6-13-22/h4-18,20,28H,19,21H2,1-3H3/t28-/m0/s1