1-(4-butoxyphenyl)-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea

Systemtic Name: 1-(4-butoxyphenyl)-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-butoxyphenyl)urea CAS Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-butoxyphenyl)urea IUPAC Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-butoxyphenyl)urea Traditional Name: 1-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-butoxyphenyl)urea Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C26H29N3O4S/c1-2-3-17-33-24-13-11-22(12-14-24)27-26(30)28-23-10-9-20-15-16-29(19-21(20)18-23)34(31,32)25-7-5-4-6-8-25/h4-14,18H,2-3,15-17,19H2,1H3,(H2,27,28,30)