N-[[4-(aminocarbonylamino)phenyl]methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[(4-ureidophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[[4-(carbamoylamino)phenyl]methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(4-ureidobenzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C20H24N4O4S/c1-2-29(27,28)24-13-16-6-4-3-5-15(16)11-18(24)19(25)22-12-14-7-9-17(10-8-14)23-20(21)26/h3-10,18H,2,11-13H2,1H3,(H,22,25)(H3,21,23,26)