1-naphthalen-1-yloxypropan-2-yl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-3-nitrososulfanyl-butanoate

Systemtic Name: 1-naphthalen-1-yloxypropan-2-yl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-3-nitrososulfanyl-butanoate Openeye Name: [1-methyl-2-(1-naphthyloxy)ethyl] 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-3-nitrososulfanyl-butanoate CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-methyl-3-(nitrosothio)butanoic acid 1-(1-naphthalenyloxy)propan-2-yl ester IUPAC Name: 1-naphthalen-1-yloxypropan-2-yl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-3-nitrososulfanylbutanoate Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-3-methyl-3-(nitrosothio)butyric acid [1-methyl-2-(1-naphthoxy)ethyl] ester Formula: C29H35N3O5S MolecularWeight: 537.6703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC2=CC=CC=C21)OC(=O)C(C(C)(C)SN=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC(COC1=CC=CC2=CC=CC=C21)OC(=O)C(C(C)(C)SN=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C29H35N3O5S/c1-21(20-36-25-15-9-11-22-10-5-6-12-23(22)25)37-28(33)27(29(2,3)38-30-34)32-18-16-31(17-19-32)24-13-7-8-14-26(24)35-4/h5-15,21,27H,16-20H2,1-4H3