N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-oxidanylidene-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-oxidanylidene-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-oxo-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-keto-ethyl]-6-keto-4-mesyl-1,2-dimethyl-piperazine-2-carboxamide Formula: C22H33N5O5S MolecularWeight: 479.59292

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1C)S(=O)(=O)C)C(=O)NCC(=O)NCCCN2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1(CN(CC(=O)N1C)S(=O)(=O)C)C(=O)NCC(=O)NCCCN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H33N5O5S/c1-22(16-27(33(3,31)32)15-20(29)25(22)2)21(30)24-13-19(28)23-10-6-11-26-12-9-17-7-4-5-8-18(17)14-26/h4-5,7-8H,6,9-16H2,1-3H3,(H,23,28)(H,24,30)