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

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-methylsulfonyl-2-nitroaniline Traditional Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-(4-mesyl-2-nitro-phenyl)-methyl-amine Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S2/c1-11(17-18-13-6-4-5-7-16(13)25-17)19(2)14-9-8-12(26(3,23)24)10-15(14)20(21)22/h4-11H,1-3H3/t11-/m1/s1