[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[2-(phenylmethyl)pyrrolidin-1-yl]methanone

Systemtic Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[2-(phenylmethyl)pyrrolidin-1-yl]methanone Openeye Name: (2-benzylpyrrolidin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methanone CAS Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[2-(phenylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: (2-benzylpyrrolidin-1-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methanone Traditional Name: (2-benzylpyrrolidino)-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methanone Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)CC5=CC=CC=C5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N2O3S/c30-27(29-16-7-13-25(29)18-21-8-2-1-3-9-21)23-12-6-14-26(19-23)33(31,32)28-17-15-22-10-4-5-11-24(22)20-28/h1-6,8-12,14,19,25H,7,13,15-18,20H2