N-(6-nitro-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 3-isopropylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonyl-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 3-isopropylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O5S2/c1-15(2)34(31,32)19-8-5-6-16(12-19)22(28)26(14-17-7-3-4-11-24-17)23-25-20-10-9-18(27(29)30)13-21(20)33-23/h3-13,15H,14H2,1-2H3