[1-[2-(benzotriazol-1-yl)ethylsulfonyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [1-[2-(benzotriazol-1-yl)ethylsulfonyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [1-[2-(benzotriazol-1-yl)ethylsulfonyl]-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [1-[2-(1-benzotriazolyl)ethylsulfonyl]-4-piperidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [1-[2-(benzotriazol-1-yl)ethylsulfonyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [1-[2-(benzotriazol-1-yl)ethylsulfonyl]-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)CCN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)CCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H27N5O3S/c29-23(26-12-9-18-5-1-2-6-20(18)17-26)19-10-13-27(14-11-19)32(30,31)16-15-28-22-8-4-3-7-21(22)24-25-28/h1-8,19H,9-17H2