5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(2-piperazin-1-ylethyl)-9H-pyrido[2,3-b]indole-7-carboxamide

Systemtic Name: 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(2-piperazin-1-ylethyl)-9H-pyrido[2,3-b]indole-7-carboxamide Openeye Name: 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(2-piperazin-1-ylethyl)-9H-pyrido[2,3-b]indole-7-carboxamide CAS Name: 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-[2-(1-piperazinyl)ethyl]-9H-pyrido[2,3-b]indole-7-carboxamide IUPAC Name: 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(2-piperazin-1-ylethyl)-9H-pyrido[2,3-b]indole-7-carboxamide Traditional Name: 5-(3-esylphenyl)-3,8-dimethyl-N-(2-piperazinoethyl)-9H-pyrid[2,3-b]indole-7-carboxamide Formula: C28H33N5O3S MolecularWeight: 519.65832

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C3=C2C4=CC(=CN=C4N3)C)C)C(=O)NCCN5CCNCC5

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C3=C2C4=CC(=CN=C4N3)C)C)C(=O)NCCN5CCNCC5

InChI

InChI=1S/C28H33N5O3S/c1-4-37(35,36)21-7-5-6-20(15-21)23-16-22(28(34)30-10-13-33-11-8-29-9-12-33)19(3)26-25(23)24-14-18(2)17-31-27(24)32-26/h5-7,14-17,29H,4,8-13H2,1-3H3,(H,30,34)(H,31,32)