N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S2/c1-25(22,23)11-6-7-12(14(10-11)19(20)21)17-9-8-16-18-13-4-2-3-5-15(13)24-16/h2-7,10,17H,8-9H2,1H3