N-[2-[[(E)-4-(3-chlorophenyl)but-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[[(E)-4-(3-chlorophenyl)but-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-3-(3-chlorophenyl)-1-methyl-allyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-4-(3-chlorophenyl)but-3-en-2-yl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-4-(3-chlorophenyl)but-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-3-(3-chlorophenyl)-1-methyl-allyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC(=CC=C1)Cl)NCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(/C=C/C1=CC(=CC=C1)Cl)NCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H22ClN3O2S/c1-16(8-9-17-4-2-6-19(22)14-17)24-12-13-25-28(26,27)21-7-3-5-18-15-23-11-10-20(18)21/h2-11,14-16,24-25H,12-13H2,1H3/b9-8+