[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(4-phenyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C30H32N4O4S2 MolecularWeight: 576.72948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C30H32N4O4S2/c35-29(23-10-13-26(14-11-23)40(36,37)34-16-6-1-2-7-17-34)38-25-12-15-27-28(22-25)39-30(31-27)33-20-18-32(19-21-33)24-8-4-3-5-9-24/h3-5,8-15,22H,1-2,6-7,16-21H2