2-methyl-N-[2-[[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]ethyl]propanamide

Systemtic Name: 2-methyl-N-[2-[[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]ethyl]propanamide Openeye Name: 2-methyl-N-[2-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-anilino]ethyl]propanamide CAS Name: 2-methyl-N-[2-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroanilino]ethyl]propanamide IUPAC Name: 2-methyl-N-[2-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroanilino]ethyl]propanamide Traditional Name: 2-methyl-N-[2-[4-(3-methylpiperidino)sulfonyl-2-nitro-anilino]ethyl]propionamide Formula: C18H28N4O5S MolecularWeight: 412.50372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O5S/c1-13(2)18(23)20-9-8-19-16-7-6-15(11-17(16)22(24)25)28(26,27)21-10-4-5-14(3)12-21/h6-7,11,13-14,19H,4-5,8-10,12H2,1-3H3,(H,20,23)