N-[3-(dimethylamino)propyl]-4-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide hydrochloride

Systemtic Name: N-[3-(dimethylamino)propyl]-4-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide hydrochloride Openeye Name: N-[3-(dimethylamino)propyl]-4-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide hydrochloride CAS Name: N-[3-(dimethylamino)propyl]-4-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide hydrochloride IUPAC Name: N-[3-(dimethylamino)propyl]-4-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide hydrochloride Traditional Name: N-[3-(dimethylamino)propyl]-4-mesyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide hydrochloride Formula: C20H23ClN4O5S2 MolecularWeight: 499.00342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)S(=O)(=O)C.Cl

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)S(=O)(=O)C.Cl

InChI

InChI=1S/C20H22N4O5S2.ClH/c1-22(2)11-4-12-23(19(25)14-5-8-16(9-6-14)31(3,28)29)20-21-17-10-7-15(24(26)27)13-18(17)30-20;/h5-10,13H,4,11-12H2,1-3H3;1H