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

Systemtic Name: N-[2-[[(E)-4-(4-propan-2-ylphenyl)but-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-3-(4-isopropylphenyl)-1-methyl-allyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-4-(4-propan-2-ylphenyl)but-3-en-2-yl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-4-(4-propan-2-ylphenyl)but-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-1-methyl-3-p-cumenyl-allyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2S/c1-18(2)21-11-9-20(10-12-21)8-7-19(3)26-15-16-27-30(28,29)24-6-4-5-22-17-25-14-13-23(22)24/h4-14,17-19,26-27H,15-16H2,1-3H3/b8-7+