4-[4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]phenol

Systemtic Name: 4-[4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]phenol Openeye Name: 4-[4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]phenol CAS Name: 4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]phenol IUPAC Name: 4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]phenol Traditional Name: 4-[4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazino]phenol Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)O)Cl

InChI

InChI=1S/C17H18ClN3O5S/c1-12-16(18)10-15(11-17(12)21(23)24)27(25,26)20-8-6-19(7-9-20)13-2-4-14(22)5-3-13/h2-5,10-11,22H,6-9H2,1H3