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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-methylsulfonyl-2-nitro-aniline CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-methylsulfonyl-2-nitroaniline Traditional Name: 1,3-benzothiazol-2-ylmethyl-(4-mesyl-2-nitro-phenyl)-methyl-amine Formula: C16H15N3O4S2 MolecularWeight: 377.438

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S2/c1-18(10-16-17-12-5-3-4-6-15(12)24-16)13-8-7-11(25(2,22)23)9-14(13)19(20)21/h3-9H,10H2,1-2H3