(phenylmethyl) 7-chloranylsulfonyl-8-methoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: (phenylmethyl) 7-chloranylsulfonyl-8-methoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: benzyl 7-chlorosulfonyl-8-methoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 7-chlorosulfonyl-8-methoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-chlorosulfonyl-8-methoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 7-chlorosulfonyl-8-methoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid benzyl ester Formula: C26H26ClNO6S MolecularWeight: 516.00574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CN(CCC3=CC(=C(C=C23)S(=O)(=O)Cl)OC)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2CN(CCC3=CC(=C(C=C23)S(=O)(=O)Cl)OC)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26ClNO6S/c1-32-21-10-8-19(9-11-21)23-16-28(26(29)34-17-18-6-4-3-5-7-18)13-12-20-14-24(33-2)25(15-22(20)23)35(27,30)31/h3-11,14-15,23H,12-13,16-17H2,1-2H3