3-(cyclohexylmethoxy)-6-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-9H-pyrido[3,4-b]indole-1-carboxamide

Systemtic Name: 3-(cyclohexylmethoxy)-6-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-9H-pyrido[3,4-b]indole-1-carboxamide Openeye Name: 3-(cyclohexylmethoxy)-6-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-9H-pyrido[3,4-b]indole-1-carboxamide CAS Name: 3-(cyclohexylmethoxy)-6-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-9H-pyrido[3,4-b]indole-1-carboxamide IUPAC Name: 3-(cyclohexylmethoxy)-6-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-9H-pyrido[3,4-b]indole-1-carboxamide Traditional Name: 3-(cyclohexylmethoxy)-6-[4-(2-hydroxyethyl)piperazino]sulfonyl-9H-$b-carboline-1-carboxamide Formula: C25H33N5O5S MolecularWeight: 515.62502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=NC(=C3C(=C2)C4=C(N3)C=CC(=C4)S(=O)(=O)N5CCN(CC5)CCO)C(=O)N

Isomeric SMILES

C1CCC(CC1)COC2=NC(=C3C(=C2)C4=C(N3)C=CC(=C4)S(=O)(=O)N5CCN(CC5)CCO)C(=O)N

InChI

InChI=1S/C25H33N5O5S/c26-25(32)24-23-20(15-22(28-24)35-16-17-4-2-1-3-5-17)19-14-18(6-7-21(19)27-23)36(33,34)30-10-8-29(9-11-30)12-13-31/h6-7,14-15,17,27,31H,1-5,8-13,16H2,(H2,26,32)