3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C18H21ClN4O5S2 MolecularWeight: 472.96614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H21ClN4O5S2/c1-13-2-3-14(23(25)26)12-15(13)20-17(24)6-7-21-8-10-22(11-9-21)30(27,28)18-5-4-16(19)29-18/h2-5,12H,6-11H2,1H3,(H,20,24)