N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-dimethyl-benzamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-dimethyl-benzamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-dimethylbenzamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-dimethylbenzamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-dimethyl-benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C21H26N2O3S/c1-16-8-9-19(14-17(16)2)21(24)22-11-5-13-27(25,26)23-12-10-18-6-3-4-7-20(18)15-23/h3-4,6-9,14H,5,10-13,15H2,1-2H3,(H,22,24)