ethyl 2-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[3-cyclopentyl-2-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[3-cyclopentyl-2-[4-(4-methylpiperazino)sulfonylphenyl]propanoyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C29H36N4O5S2 MolecularWeight: 584.74994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC3CCCC3)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC3CCCC3)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C29H36N4O5S2/c1-3-38-28(35)22-10-13-25-26(19-22)39-29(30-25)31-27(34)24(18-20-6-4-5-7-20)21-8-11-23(12-9-21)40(36,37)33-16-14-32(2)15-17-33/h8-13,19-20,24H,3-7,14-18H2,1-2H3,(H,30,31,34)