4-(3-methylpiperidin-1-yl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-aniline

Systemtic Name: 4-(3-methylpiperidin-1-yl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-aniline Openeye Name: 4-[(3-methyl-1-piperidyl)sulfonyl]-N-[2-(2-methylthiazol-4-yl)ethyl]-2-nitro-aniline CAS Name: 4-[(3-methyl-1-piperidinyl)sulfonyl]-N-[2-(2-methyl-4-thiazolyl)ethyl]-2-nitroaniline IUPAC Name: 4-(3-methylpiperidin-1-yl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitroaniline Traditional Name: [4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]-[2-(2-methylthiazol-4-yl)ethyl]amine Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CSC(=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CSC(=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O4S2/c1-13-4-3-9-21(11-13)28(25,26)16-5-6-17(18(10-16)22(23)24)19-8-7-15-12-27-14(2)20-15/h5-6,10,12-13,19H,3-4,7-9,11H2,1-2H3