N-(1,3-benzothiazol-2-yl)-4-chloranyl-3-morpholin-4-ylsulfonyl-N-phenethyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-chloranyl-3-morpholin-4-ylsulfonyl-N-phenethyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-chloro-3-morpholinosulfonyl-N-phenethyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-chloro-3-(4-morpholinylsulfonyl)-N-phenethylbenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-chloro-3-morpholin-4-ylsulfonyl-N-phenethylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-chloro-3-morpholinosulfonyl-N-phenethyl-benzamide Formula: C26H24ClN3O4S2 MolecularWeight: 542.06946

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)N(CCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)N(CCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)Cl

InChI

InChI=1S/C26H24ClN3O4S2/c27-21-11-10-20(18-24(21)36(32,33)29-14-16-34-17-15-29)25(31)30(13-12-19-6-2-1-3-7-19)26-28-22-8-4-5-9-23(22)35-26/h1-11,18H,12-17H2