N-benzo[e][1,3]benzothiazol-2-yl-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)S(=O)(=O)N5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H21N3O4S2/c1-30-18-10-8-16(14-20(18)32(28,29)26-12-4-5-13-26)22(27)25-23-24-21-17-7-3-2-6-15(17)9-11-19(21)31-23/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,24,25,27)