[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

Systemtic Name: [(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone Openeye Name: [(3S)-1-(4-bromophenyl)sulfonyl-3-piperidyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone CAS Name: [(3S)-1-(4-bromophenyl)sulfonyl-3-piperidinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone IUPAC Name: [(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone Traditional Name: [(3S)-1-brosyl-3-piperidyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CCC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC2=C(C=C1)N(CCC2)C(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H25BrN2O4S/c1-29-19-8-11-21-16(14-19)4-3-13-25(21)22(26)17-5-2-12-24(15-17)30(27,28)20-9-6-18(23)7-10-20/h6-11,14,17H,2-5,12-13,15H2,1H3/t17-/m0/s1