5-[bis(methylsulfonyl)amino]-6-bromanyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3-carboxylic acid

Systemtic Name: 5-[bis(methylsulfonyl)amino]-6-bromanyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 2-benzyl-5-[bis(methylsulfonyl)amino]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 5-[bis(methylsulfonyl)amino]-6-bromo-1-oxo-4-phenyl-2-(phenylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 2-benzyl-5-[bis(methylsulfonyl)amino]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-benzyl-6-bromo-5-(dimesylamino)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H21BrN2O7S2 MolecularWeight: 605.47744

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C1=C(C=CC2=C1C(=C(N(C2=O)CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4)Br)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)N(C1=C(C=CC2=C1C(=C(N(C2=O)CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4)Br)S(=O)(=O)C

InChI

InChI=1S/C25H21BrN2O7S2/c1-36(32,33)28(37(2,34)35)22-19(26)14-13-18-21(22)20(17-11-7-4-8-12-17)23(25(30)31)27(24(18)29)15-16-9-5-3-6-10-16/h3-14H,15H2,1-2H3,(H,30,31)