N-carbamimidoyl-3-methylsulfonyl-N-[4-(1-oxidanyl-2-quinolin-2-ylsulfanyl-ethyl)phenoxy]benzamide

Systemtic Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-(1-oxidanyl-2-quinolin-2-ylsulfanyl-ethyl)phenoxy]benzamide Openeye Name: N-carbamimidoyl-N-[4-[1-hydroxy-2-(2-quinolylsulfanyl)ethyl]phenoxy]-3-methylsulfonyl-benzamide CAS Name: N-carbamimidoyl-N-[4-[1-hydroxy-2-(2-quinolinylthio)ethyl]phenoxy]-3-methylsulfonylbenzamide IUPAC Name: N-carbamimidoyl-N-[4-(1-hydroxy-2-quinolin-2-ylsulfanylethyl)phenoxy]-3-methylsulfonylbenzamide Traditional Name: N-amidino-N-[4-[1-hydroxy-2-(2-quinolylthio)ethyl]phenoxy]-3-mesyl-benzamide Formula: C26H24N4O5S2 MolecularWeight: 536.62256

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C(=N)N)OC2=CC=C(C=C2)C(CSC3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C(=N)N)OC2=CC=C(C=C2)C(CSC3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C26H24N4O5S2/c1-37(33,34)21-7-4-6-19(15-21)25(32)30(26(27)28)35-20-12-9-18(10-13-20)23(31)16-36-24-14-11-17-5-2-3-8-22(17)29-24/h2-15,23,31H,16H2,1H3,(H3,27,28)