N-(3-azanylpropyl)-4-methyl-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-(3-azanylpropyl)-4-methyl-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide Openeye Name: N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]-4-methyl-isoquinoline-5-sulfonamide CAS Name: N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]-4-methyl-5-isoquinolinesulfonamide IUPAC Name: N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]-4-methylisoquinoline-5-sulfonamide Traditional Name: N-(3-aminopropyl)-N-(2-besylethyl)-4-methyl-isoquinoline-5-sulfonamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N(CCCN)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N(CCCN)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S2/c1-17-15-23-16-18-7-5-10-20(21(17)18)30(27,28)24(12-6-11-22)13-14-29(25,26)19-8-3-2-4-9-19/h2-5,7-10,15-16H,6,11-14,22H2,1H3