2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate

Systemtic Name: 2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate Openeye Name: 2-(1-methyl-4-nitrososulfanyl-4-piperidyl)ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid 2-[1-methyl-4-(nitrosothio)-4-piperidinyl]ethyl ester IUPAC Name: 2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate Traditional Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid 2-[1-methyl-4-(nitrosothio)-4-piperidyl]ethyl ester Formula: C27H30ClN3O5S MolecularWeight: 544.0622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCCC4(CCN(CC4)C)SN=O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCCC4(CCN(CC4)C)SN=O

InChI

InChI=1S/C27H30ClN3O5S/c1-18-22(17-25(32)36-15-12-27(37-29-34)10-13-30(2)14-11-27)23-16-21(35-3)8-9-24(23)31(18)26(33)19-4-6-20(28)7-5-19/h4-9,16H,10-15,17H2,1-3H3