(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O6S/c1-14(2)24-15(3)12-18(16(24)4)21(26)22-8-10-23(11-9-22)32(29,30)17-6-7-20(31-5)19(13-17)25(27)28/h6-7,12-14H,8-11H2,1-5H3