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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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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)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S2/c1-21(13-19-20-15-4-2-3-5-18(15)29-19)16-7-6-14(12-17(16)23(24)25)30(26,27)22-8-10-28-11-9-22/h2-7,12H,8-11,13H2,1H3