N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-4-tosyl-butyramide Formula: C23H28N4O5S2 MolecularWeight: 504.62222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5S2/c1-17-7-10-19(11-8-17)34(31,32)15-4-6-22(28)26(14-5-13-25(2)3)23-24-20-12-9-18(27(29)30)16-21(20)33-23/h7-12,16H,4-6,13-15H2,1-3H3