3-[1-(4-methylphenyl)sulfonylindol-3-yl]-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]propanamide

Systemtic Name: 3-[1-(4-methylphenyl)sulfonylindol-3-yl]-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]propanamide Openeye Name: N-[2-[(5-nitro-2-pyridyl)amino]ethyl]-3-[1-(p-tolylsulfonyl)indol-3-yl]propanamide CAS Name: 3-[1-(4-methylphenyl)sulfonyl-3-indolyl]-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]propanamide IUPAC Name: 3-[1-(4-methylphenyl)sulfonylindol-3-yl]-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]propanamide Traditional Name: N-[2-[(5-nitro-2-pyridyl)amino]ethyl]-3-(1-tosylindol-3-yl)propionamide Formula: C25H25N5O5S MolecularWeight: 507.5615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCC(=O)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCC(=O)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O5S/c1-18-6-10-21(11-7-18)36(34,35)29-17-19(22-4-2-3-5-23(22)29)8-13-25(31)27-15-14-26-24-12-9-20(16-28-24)30(32)33/h2-7,9-12,16-17H,8,13-15H2,1H3,(H,26,28)(H,27,31)