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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-piperidinosulfonyl-benzamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCS(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCS(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H29N3O5S2/c27-23(20-8-10-22(11-9-20)33(30,31)25-14-4-1-5-15-25)24-13-17-32(28,29)26-16-12-19-6-2-3-7-21(19)18-26/h2-3,6-11H,1,4-5,12-18H2,(H,24,27)