[4-(azepan-1-ylsulfonyl)phenyl]-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(6-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C25H30N4O4S2/c1-33-20-8-11-22-23(18-20)34-25(26-22)28-16-14-27(15-17-28)24(30)19-6-9-21(10-7-19)35(31,32)29-12-4-2-3-5-13-29/h6-11,18H,2-5,12-17H2,1H3