1-(4-ethylpiperazin-1-yl)-3-phenyl-isoquinoline; 1-oxidanyl-2-(sulfinoamino)ethane

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-phenyl-isoquinoline; 1-oxidanyl-2-(sulfinoamino)ethane Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-phenyl-isoquinoline; 1-hydroxy-2-(sulfinoamino)ethane CAS Name: 1-(4-ethyl-1-piperazinyl)-3-phenylisoquinoline; 1-hydroxy-2-(sulfinoamino)ethane IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-phenylisoquinoline; 1-hydroxy-2-(sulfinoamino)ethane Traditional Name: 1-(4-ethylpiperazino)-3-phenyl-isoquinoline; 1-hydroxy-2-(sulfinoamino)ethane Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4.C(CO)NS(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4.C(CO)NS(=O)O

InChI

InChI=1S/C21H23N3.C2H7NO3S/c1-2-23-12-14-24(15-13-23)21-19-11-7-6-10-18(19)16-20(22-21)17-8-4-3-5-9-17;4-2-1-3-7(5)6/h3-11,16H,2,12-15H2,1H3;3-4H,1-2H2,(H,5,6)