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

Systemtic Name: [1-(azepan-1-ylsulfonyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [1-(azepan-1-ylsulfonyl)-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [1-(1-azepanylsulfonyl)-4-piperidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [1-(azepan-1-ylsulfonyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [1-(azepan-1-ylsulfonyl)-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H31N3O3S/c25-21(22-14-9-18-7-3-4-8-20(18)17-22)19-10-15-24(16-11-19)28(26,27)23-12-5-1-2-6-13-23/h3-4,7-8,19H,1-2,5-6,9-17H2