N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidino-benzamide Formula: C24H29N5O5S2 MolecularWeight: 531.64756

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O5S2/c1-26(2)13-14-28(24-25-19-9-8-18(36(3,33)34)16-22(19)35-24)23(30)17-7-10-20(21(15-17)29(31)32)27-11-5-4-6-12-27/h7-10,15-16H,4-6,11-14H2,1-3H3