4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-[(5-chloro-2-thienyl)methyl]piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C19H25ClN4O4S2 MolecularWeight: 473.0092

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=C(S3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=C(S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H25ClN4O4S2/c1-3-23(4-2)30(27,28)16-6-7-17(18(13-16)24(25)26)22-11-9-21(10-12-22)14-15-5-8-19(20)29-15/h5-8,13H,3-4,9-12,14H2,1-2H3