5-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: 5-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-2-nitro-aniline CAS Name: 5-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: benzyl-[5-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-2-nitro-phenyl]amine Formula: C21H21ClN4O4S2 MolecularWeight: 492.99884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H21ClN4O4S2/c22-20-8-9-21(31-20)32(29,30)25-12-10-24(11-13-25)17-6-7-19(26(27)28)18(14-17)23-15-16-4-2-1-3-5-16/h1-9,14,23H,10-13,15H2