2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-thienylmethyl)propanamide CAS Name: 2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 2-[4-(3-nitrophenyl)sulfonylpiperazino]-N-(2-thenyl)propionamide Formula: C18H22N4O5S2 MolecularWeight: 438.52108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S2/c1-14(18(23)19-13-16-5-3-11-28-16)20-7-9-21(10-8-20)29(26,27)17-6-2-4-15(12-17)22(24)25/h2-6,11-12,14H,7-10,13H2,1H3,(H,19,23)