N-(4-azanylbutyl)-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-(4-azanylbutyl)-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-(4-aminobutyl)-N-[2-[[(E)-3-(4-chlorophenyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-(4-aminobutyl)-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-(4-aminobutyl)-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-(4-aminobutyl)-N-[2-[[(E)-3-(4-chlorophenyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C24H29ClN4O2S MolecularWeight: 473.03066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)N(CCCCN)CCNCC=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)N(CCCCN)CCNC/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H29ClN4O2S/c25-22-10-8-20(9-11-22)5-4-14-27-16-18-29(17-2-1-13-26)32(30,31)24-7-3-6-21-19-28-15-12-23(21)24/h3-12,15,19,27H,1-2,13-14,16-18,26H2/b5-4+