N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonyl-benzamide Openeye Name: 3-isopropylsulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonylbenzamide Traditional Name: 3-isopropylsulfonyl-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C20H17N3O5S2 MolecularWeight: 443.49608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

InChI

InChI=1S/C20H17N3O5S2/c1-4-10-22-17-9-8-15(23(25)26)12-18(17)29-20(22)21-19(24)14-6-5-7-16(11-14)30(27,28)13(2)3/h1,5-9,11-13H,10H2,2-3H3