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

Systemtic Name: 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-[(3S)-3-oxidanylbutyl]-9H-pyrido[2,3-b]indole-7-carboxamide Openeye Name: 5-(3-ethylsulfonylphenyl)-N-[(3S)-3-hydroxybutyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide CAS Name: 5-(3-ethylsulfonylphenyl)-N-[(3S)-3-hydroxybutyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide IUPAC Name: 5-(3-ethylsulfonylphenyl)-N-[(3S)-3-hydroxybutyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide Traditional Name: 5-(3-esylphenyl)-N-[(3S)-3-hydroxybutyl]-3,8-dimethyl-9H-pyrid[2,3-b]indole-7-carboxamide Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

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)NCCC(C)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C3=C2C4=CC(=CN=C4N3)C)C)C(=O)NCC[C@H](C)O

InChI

InChI=1S/C26H29N3O4S/c1-5-34(32,33)19-8-6-7-18(12-19)21-13-20(26(31)27-10-9-16(3)30)17(4)24-23(21)22-11-15(2)14-28-25(22)29-24/h6-8,11-14,16,30H,5,9-10H2,1-4H3,(H,27,31)(H,28,29)/t16-/m0/s1