N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(CCN(C4)C(=O)C5=CC=CC=C5)C=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(CCN(C4)C(=O)C5=CC=CC=C5)C=C3

InChI

InChI=1S/C27H27N3O4S/c31-26(21-9-12-25(13-10-21)35(33,34)30-15-4-5-16-30)28-24-11-8-20-14-17-29(19-23(20)18-24)27(32)22-6-2-1-3-7-22/h1-3,6-13,18H,4-5,14-17,19H2,(H,28,31)