2-nitro-N-(2-phenylsulfanylethyl)-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: 2-nitro-N-(2-phenylsulfanylethyl)-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: 2-nitro-N-(2-phenylsulfanylethyl)-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: 2-nitro-N-[2-(phenylthio)ethyl]-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: 2-nitro-N-(2-phenylsulfanylethyl)-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-[2-(phenylthio)ethyl]amine Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCSC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCSC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S2/c22-21(23)18-14-16(27(24,25)20-11-4-5-12-20)8-9-17(18)19-10-13-26-15-6-2-1-3-7-15/h1-3,6-9,14,19H,4-5,10-13H2