N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propylamino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propylamino]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propylamino]-2-oxo-ethyl]benzamide CAS Name: N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propylamino]-2-oxoethyl]benzamide IUPAC Name: N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propylamino]-2-oxoethyl]benzamide Traditional Name: N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propylamino]-2-keto-ethyl]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCCNC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCCNC(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c25-20(15-23-21(26)18-8-2-1-3-9-18)22-12-6-14-29(27,28)24-13-11-17-7-4-5-10-19(17)16-24/h1-5,7-10H,6,11-16H2,(H,22,25)(H,23,26)