N-[4-[[2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl]phenyl]-3-chloranyl-4-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[4-[[2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl]phenyl]-3-chloranyl-4-methyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-[4-[(2,5-dioxo-1-pyrrolidinyl)methyl]phenyl]-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-4-methyl-5-nitro-N-[4-(succinimidomethyl)phenyl]benzenesulfonamide Formula: C18H16ClN3O6S MolecularWeight: 437.85414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)CN3C(=O)CCC3=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)CN3C(=O)CCC3=O)Cl

InChI

InChI=1S/C18H16ClN3O6S/c1-11-15(19)8-14(9-16(11)22(25)26)29(27,28)20-13-4-2-12(3-5-13)10-21-17(23)6-7-18(21)24/h2-5,8-9,20H,6-7,10H2,1H3