N-(2-azanylethyl)-1-oxidanylidene-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide

Systemtic Name: N-(2-azanylethyl)-1-oxidanylidene-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-1-oxo-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-1-oxo-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(2-aminoethyl)-1-oxo-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-1-keto-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(CCN)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CCN)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C20H23N3O3S/c21-12-15-23(14-5-8-16-6-2-1-3-7-16)27(25,26)19-10-4-9-18-17(19)11-13-22-20(18)24/h1-4,6-7,9-11,13H,5,8,12,14-15,21H2,(H,22,24)