N-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butyl]-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine-2-carboxamide

Systemtic Name: N-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butyl]-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butyl]-2-pyrrolo[2,3-b]pyridinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine-2-carboxamide Traditional Name: 1-besyl-N-[4-[4-(2,3-dichlorophenyl)piperazino]butyl]pyrrolo[2,3-b]pyridine-2-carboxamide Formula: C28H29Cl2N5O3S MolecularWeight: 586.53256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)N=CC=C3)C5=C(C(=CC=C5)Cl)Cl

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)N=CC=C3)C5=C(C(=CC=C5)Cl)Cl

InChI

InChI=1S/C28H29Cl2N5O3S/c29-23-11-6-12-24(26(23)30)34-18-16-33(17-19-34)15-5-4-13-32-28(36)25-20-21-8-7-14-31-27(21)35(25)39(37,38)22-9-2-1-3-10-22/h1-3,6-12,14,20H,4-5,13,15-19H2,(H,32,36)