N-(2-chloranyl-4-nitro-phenyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]propionamide Formula: C18H21ClN4O5S2 MolecularWeight: 472.96614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN4O5S2/c1-12-3-6-17(29-12)30(27,28)22-9-7-21(8-10-22)13(2)18(24)20-16-5-4-14(23(25)26)11-15(16)19/h3-6,11,13H,7-10H2,1-2H3,(H,20,24)