2-[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]-1,3-thiazole

Systemtic Name: 2-[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]-1,3-thiazole Openeye Name: 2-[4-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-yl]thiazole CAS Name: 2-[4-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]thiazole IUPAC Name: 2-[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]-1,3-thiazole Traditional Name: 2-[4-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazino]thiazole Formula: C19H25N5O4S2 MolecularWeight: 451.5629

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4S2/c1-15-3-2-7-23(14-15)30(27,28)16-4-5-17(18(13-16)24(25)26)21-8-10-22(11-9-21)19-20-6-12-29-19/h4-6,12-13,15H,2-3,7-11,14H2,1H3