2-nitro-N-(3-phenylsulfanylpropyl)-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: 2-nitro-N-(3-phenylsulfanylpropyl)-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: 2-nitro-N-(3-phenylsulfanylpropyl)-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: 2-nitro-N-[3-(phenylthio)propyl]-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: 2-nitro-N-(3-phenylsulfanylpropyl)-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-[3-(phenylthio)propyl]amine Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S2/c23-22(24)19-15-17(28(25,26)21-12-4-5-13-21)9-10-18(19)20-11-6-14-27-16-7-2-1-3-8-16/h1-3,7-10,15,20H,4-6,11-14H2