N-[2-[[(Z)-2-methyl-3-(4-nitrophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[[(Z)-2-methyl-3-(4-nitrophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(Z)-2-methyl-3-(4-nitrophenyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(Z)-2-methyl-3-(4-nitrophenyl)prop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(Z)-2-methyl-3-(4-nitrophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(Z)-2-methyl-3-(4-nitrophenyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)[N+](=O)[O-])CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C/C(=C/C1=CC=C(C=C1)[N+](=O)[O-])/CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H22N4O4S/c1-16(13-17-5-7-19(8-6-17)25(26)27)14-23-11-12-24-30(28,29)21-4-2-3-18-15-22-10-9-20(18)21/h2-10,13,15,23-24H,11-12,14H2,1H3/b16-13-