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

Systemtic Name: 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[1-[(4-nitrophenyl)methyl]-3-indolyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[1-(4-nitrobenzyl)indol-3-yl]thio]-1-piperidino-ethanone Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O3S/c26-22(23-12-4-1-5-13-23)16-29-21-15-24(20-7-3-2-6-19(20)21)14-17-8-10-18(11-9-17)25(27)28/h2-3,6-11,15H,1,4-5,12-14,16H2