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

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-pyrrolidinosulfonyl-benzamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCS(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCS(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H29N3O5S2/c27-23(20-8-10-22(11-9-20)33(30,31)25-14-3-4-15-25)24-13-5-17-32(28,29)26-16-12-19-6-1-2-7-21(19)18-26/h1-2,6-11H,3-5,12-18H2,(H,24,27)