N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-piperidinosulfonyl-benzamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(CCN(C4)C(=O)C5CC5)C=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(CCN(C4)C(=O)C5CC5)C=C3

InChI

InChI=1S/C25H29N3O4S/c29-24(19-7-10-23(11-8-19)33(31,32)28-13-2-1-3-14-28)26-22-9-6-18-12-15-27(17-21(18)16-22)25(30)20-4-5-20/h6-11,16,20H,1-5,12-15,17H2,(H,26,29)