1-(2-ethylpiperidin-1-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanone Openeye Name: 1-(2-ethyl-1-piperidyl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanone CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[[1-[(4-nitrophenyl)methyl]-3-indolyl]thio]ethanone IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylethanone Traditional Name: 1-(2-ethylpiperidino)-2-[[1-(4-nitrobenzyl)indol-3-yl]thio]ethanone Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O3S/c1-2-19-7-5-6-14-26(19)24(28)17-31-23-16-25(22-9-4-3-8-21(22)23)15-18-10-12-20(13-11-18)27(29)30/h3-4,8-13,16,19H,2,5-7,14-15,17H2,1H3