N-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[(4-nitrophenyl)thio]phenyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-[(4-nitrophenyl)thio]phenyl]-4-pyrrolidino-benzamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O3S/c27-23(17-3-7-19(8-4-17)25-15-1-2-16-25)24-18-5-11-21(12-6-18)30-22-13-9-20(10-14-22)26(28)29/h3-14H,1-2,15-16H2,(H,24,27)