N-[[4-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[4-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(1,1-diketo-1,4-thiazinan-4-yl)benzyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCS(=O)(=O)CC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCS(=O)(=O)CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S/c27-22(18-5-8-20(21(15-18)26(28)29)25-9-1-2-10-25)23-16-17-3-6-19(7-4-17)24-11-13-32(30,31)14-12-24/h3-8,15H,1-2,9-14,16H2,(H,23,27)