1-[2-[(5-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]urea

Systemtic Name: 1-[2-[(5-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]urea Openeye Name: [2-[(5-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]urea CAS Name: [2-[[5-(1-piperazinyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]urea IUPAC Name: [2-[(5-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]urea Traditional Name: [2-[(5-piperazino-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]urea Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=CC=C2)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4NC(=O)N

Isomeric SMILES

C1CN(CC2=C1C(=CC=C2)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4NC(=O)N

InChI

InChI=1S/C20H25N5O3S/c21-20(26)23-17-5-1-2-7-19(17)29(27,28)25-11-8-16-15(14-25)4-3-6-18(16)24-12-9-22-10-13-24/h1-7,22H,8-14H2,(H3,21,23,26)