N-[3-[[6-(1-azanyl-4-oxidanylidene-4-piperazin-1-yl-butyl)-2-oxidanyl-4-oxidanylidene-pyran-3-yl]-cyclopropyl-methyl]phenyl]-1H-benzimidazole-2-sulfonamide

Systemtic Name: N-[3-[[6-(1-azanyl-4-oxidanylidene-4-piperazin-1-yl-butyl)-2-oxidanyl-4-oxidanylidene-pyran-3-yl]-cyclopropyl-methyl]phenyl]-1H-benzimidazole-2-sulfonamide Openeye Name: N-[3-[[6-(1-amino-4-oxo-4-piperazin-1-yl-butyl)-2-hydroxy-4-oxo-pyran-3-yl]-cyclopropyl-methyl]phenyl]-1H-benzimidazole-2-sulfonamide CAS Name: N-[3-[[6-[1-amino-4-oxo-4-(1-piperazinyl)butyl]-2-hydroxy-4-oxo-3-pyranyl]-cyclopropylmethyl]phenyl]-1H-benzimidazole-2-sulfonamide IUPAC Name: N-[3-[[6-(1-amino-4-oxo-4-piperazin-1-ylbutyl)-2-hydroxy-4-oxopyran-3-yl]-cyclopropylmethyl]phenyl]-1H-benzimidazole-2-sulfonamide Traditional Name: N-[3-[[6-(1-amino-4-keto-4-piperazino-butyl)-2-hydroxy-4-keto-pyran-3-yl]-cyclopropyl-methyl]phenyl]-1H-benzimidazole-2-sulfonamide Formula: C30H34N6O6S MolecularWeight: 606.69256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2=CC(=CC=C2)NS(=O)(=O)C3=NC4=CC=CC=C4N3)C5=C(OC(=CC5=O)C(CCC(=O)N6CCNCC6)N)O

Isomeric SMILES

C1CC1C(C2=CC(=CC=C2)NS(=O)(=O)C3=NC4=CC=CC=C4N3)C5=C(OC(=CC5=O)C(CCC(=O)N6CCNCC6)N)O

InChI

InChI=1S/C30H34N6O6S/c31-21(10-11-26(38)36-14-12-32-13-15-36)25-17-24(37)28(29(39)42-25)27(18-8-9-18)19-4-3-5-20(16-19)35-43(40,41)30-33-22-6-1-2-7-23(22)34-30/h1-7,16-18,21,27,32,35,39H,8-15,31H2,(H,33,34)