1-(chloromethyl)-N-(2-hydroxyethyl)-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-5-nitro-1,2-dihydrobenzo[e]indole-7-sulfonamide

Systemtic Name: 1-(chloromethyl)-N-(2-hydroxyethyl)-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-5-nitro-1,2-dihydrobenzo[e]indole-7-sulfonamide Openeye Name: 1-(chloromethyl)-N-(2-hydroxyethyl)-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-5-nitro-1,2-dihydrobenzo[e]indole-7-sulfonamide CAS Name: 1-(chloromethyl)-N-(2-hydroxyethyl)-3-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-5-nitro-1,2-dihydrobenzo[e]indole-7-sulfonamide IUPAC Name: 1-(chloromethyl)-N-(2-hydroxyethyl)-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-5-nitro-1,2-dihydrobenzo[e]indole-7-sulfonamide Traditional Name: 1-(chloromethyl)-N-(2-hydroxyethyl)-3-[(E)-3-(4-methoxyphenyl)acryloyl]-5-nitro-1,2-dihydrobenz[e]indole-7-sulfonamide Formula: C25H24ClN3O7S MolecularWeight: 545.99196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)N2CC(C3=C4C=CC(=CC4=C(C=C32)[N+](=O)[O-])S(=O)(=O)NCCO)CCl

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)N2CC(C3=C4C=CC(=CC4=C(C=C32)[N+](=O)[O-])S(=O)(=O)NCCO)CCl

InChI

InChI=1S/C25H24ClN3O7S/c1-36-18-5-2-16(3-6-18)4-9-24(31)28-15-17(14-26)25-20-8-7-19(37(34,35)27-10-11-30)12-21(20)22(29(32)33)13-23(25)28/h2-9,12-13,17,27,30H,10-11,14-15H2,1H3/b9-4+