[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-ethyl-3-morpholinosulfonyl-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[4-ethyl-3-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-(4-ethyl-3-morpholinosulfonyl-phenyl)methanone Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H29N3O4S2/c1-2-18-7-8-20(17-23(18)34(30,31)28-13-15-32-16-14-28)25(29)27-11-9-19(10-12-27)24-26-21-5-3-4-6-22(21)33-24/h3-8,17,19H,2,9-16H2,1H3