[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(3-bromo-5-ethoxy-4-methoxy-phenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(3-bromo-5-ethoxy-4-methoxyphenyl)methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromo-5-ethoxy-4-methoxyphenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(3-bromo-5-ethoxy-4-methoxy-phenyl)methanone Formula: C22H23BrN2O3S MolecularWeight: 475.39862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3)Br)OC

InChI

InChI=1S/C22H23BrN2O3S/c1-3-28-18-12-15(11-16(23)20(18)27-2)22(26)25-10-6-7-14(13-25)21-24-17-8-4-5-9-19(17)29-21/h4-5,8-9,11-12,14H,3,6-7,10,13H2,1-2H3/t14-/m0/s1