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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-2-pyrrolyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H32N4O3S/c1-29-15-6-9-25(29)26(30-18-14-21-7-2-3-8-23(21)20-30)19-28-27(32)22-10-12-24(13-11-22)35(33,34)31-16-4-5-17-31/h2-3,6-13,15,26H,4-5,14,16-20H2,1H3,(H,28,32)