3-nitro-N-(3-phenylsulfanylpropyl)-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-(3-phenylsulfanylpropyl)-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-(3-phenylsulfanylpropyl)-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[3-(phenylthio)propyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-(3-phenylsulfanylpropyl)-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[3-(phenylthio)propyl]-4-pyrrolidino-benzamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCCCSC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCCCSC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3S/c24-20(21-11-6-14-27-17-7-2-1-3-8-17)16-9-10-18(19(15-16)23(25)26)22-12-4-5-13-22/h1-3,7-10,15H,4-6,11-14H2,(H,21,24)