N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-pyrrolidino-benzamide Formula: C25H26N4O5S2 MolecularWeight: 526.62774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O5S2/c30-25(19-8-10-20(11-9-19)28-15-4-5-16-28)27-36(33,34)22-12-13-23(24(18-22)29(31)32)26-14-17-35-21-6-2-1-3-7-21/h1-3,6-13,18,26H,4-5,14-17H2,(H,27,30)