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

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-ethyl-3-morpholinosulfonyl-phenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[4-ethyl-3-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [(3S)-3-(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)N2CCCC(C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H29N3O4S2/c1-2-18-9-10-19(16-23(18)34(30,31)28-12-14-32-15-13-28)25(29)27-11-5-6-20(17-27)24-26-21-7-3-4-8-22(21)33-24/h3-4,7-10,16,20H,2,5-6,11-15,17H2,1H3/t20-/m0/s1