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

Systemtic Name: N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(2-methylthiazol-4-yl)ethyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[2-(2-methyl-4-thiazolyl)ethyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: 2-(2-methylthiazol-4-yl)ethyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S2/c1-13-19-14(12-26-13)7-8-18-16-6-5-15(11-17(16)21(22)23)27(24,25)20-9-3-2-4-10-20/h5-6,11-12,18H,2-4,7-10H2,1H3