[(4R,5R)-4-[2-chloranylethanoyl(propyl)amino]-8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-chloranylethanoate

Systemtic Name: [(4R,5R)-4-[2-chloranylethanoyl(propyl)amino]-8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-chloranylethanoate Openeye Name: [(4R,5R)-4-[(2-chloroacetyl)-propyl-amino]-8-methoxy-1-(p-tolylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-chloroacetate CAS Name: 2-chloroacetic acid [(4R,5R)-4-[(2-chloro-1-oxoethyl)-propylamino]-8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester IUPAC Name: [(4R,5R)-4-[(2-chloroacetyl)-propylamino]-8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [(4R,5R)-4-[(2-chloroacetyl)-propyl-amino]-8-methoxy-1-tosyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester Formula: C25H30Cl2N2O6S MolecularWeight: 557.4865

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCN(C2=C(C1OC(=O)CCl)C=CC(=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)CCl

Isomeric SMILES

CCCN([C@@H]1CCN(C2=C([C@H]1OC(=O)CCl)C=CC(=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)CCl

InChI

InChI=1S/C25H30Cl2N2O6S/c1-4-12-28(23(30)15-26)21-11-13-29(36(32,33)19-8-5-17(2)6-9-19)22-14-18(34-3)7-10-20(22)25(21)35-24(31)16-27/h5-10,14,21,25H,4,11-13,15-16H2,1-3H3/t21-,25-/m1/s1