2-(cyclohexylmethyl)-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: 2-(cyclohexylmethyl)-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: 2-(cyclohexylmethyl)-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: 2-(cyclohexylmethyl)-N-[3-(1-pyrrolidinyl)propyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: 2-(cyclohexylmethyl)-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: 2-(cyclohexylmethyl)-N-(3-pyrrolidinopropyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C23H37N3O2S MolecularWeight: 419.62378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)NCCCN4CCCC4

Isomeric SMILES

C1CCC(CC1)CN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)NCCCN4CCCC4

InChI

InChI=1S/C23H37N3O2S/c27-29(28,24-12-6-15-25-13-4-5-14-25)23-10-9-21-11-16-26(19-22(21)17-23)18-20-7-2-1-3-8-20/h9-10,17,20,24H,1-8,11-16,18-19H2