N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S2/c1-22(14-20-21-16-7-3-4-8-19(16)29-20)17-10-9-15(13-18(17)24(25)26)30(27,28)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3