1-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexyl]-3-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexyl]-3-(pyridin-3-ylmethyl)urea Openeye Name: 1-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexyl]-3-(3-pyridylmethyl)urea CAS Name: 1-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexyl]-3-(3-pyridinylmethyl)urea IUPAC Name: 1-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexyl]-3-(pyridin-3-ylmethyl)urea Traditional Name: 1-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexyl]-3-(3-pyridylmethyl)urea Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCCCCCNC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCCCCCNC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H30N4O3S/c27-22(25-17-19-8-7-12-23-16-19)24-13-5-1-2-6-15-30(28,29)26-14-11-20-9-3-4-10-21(20)18-26/h3-4,7-10,12,16H,1-2,5-6,11,13-15,17-18H2,(H2,24,25,27)