3-phenylsulfanyl-6-[[[1-(phenylsulfonyl)pyrrol-2-yl]methylamino]methyl]-1H-indole-2-carboxamide

Systemtic Name: 3-phenylsulfanyl-6-[[[1-(phenylsulfonyl)pyrrol-2-yl]methylamino]methyl]-1H-indole-2-carboxamide Openeye Name: 6-[[[1-(benzenesulfonyl)pyrrol-2-yl]methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[[1-(benzenesulfonyl)-2-pyrrolyl]methylamino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[[1-(benzenesulfonyl)pyrrol-2-yl]methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[(1-besylpyrrol-2-yl)methylamino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C27H24N4O3S2 MolecularWeight: 516.63446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNCC4=CC=CN4S(=O)(=O)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNCC4=CC=CN4S(=O)(=O)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C27H24N4O3S2/c28-27(32)25-26(35-21-9-3-1-4-10-21)23-14-13-19(16-24(23)30-25)17-29-18-20-8-7-15-31(20)36(33,34)22-11-5-2-6-12-22/h1-16,29-30H,17-18H2,(H2,28,32)