[3-[(4-bromophenyl)carbonylamino]phenyl] 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [3-[(4-bromophenyl)carbonylamino]phenyl] 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [3-[(4-bromobenzoyl)amino]phenyl] 4-bromo-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-bromo-3-(1-piperidinylsulfonyl)benzoic acid [3-[[(4-bromophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [3-[(4-bromobenzoyl)amino]phenyl] 4-bromo-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-piperidinosulfonyl-benzoic acid [3-[(4-bromobenzoyl)amino]phenyl] ester Formula: C25H22Br2N2O5S MolecularWeight: 622.32558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)Br)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)Br)Br

InChI

InChI=1S/C25H22Br2N2O5S/c26-19-10-7-17(8-11-19)24(30)28-20-5-4-6-21(16-20)34-25(31)18-9-12-22(27)23(15-18)35(32,33)29-13-2-1-3-14-29/h4-12,15-16H,1-3,13-14H2,(H,28,30)