ethyl 4-[4-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H23N5O8S2 MolecularWeight: 549.57672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4S3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4S3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23N5O8S2/c1-3-35-22(29)25-8-10-26(11-9-25)37(32,33)16-6-4-14(5-7-16)20(28)24-21-23-19-17(34-2)12-15(27(30)31)13-18(19)36-21/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,24,28)