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

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C26H32N4O4S2 MolecularWeight: 528.68668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C26H32N4O4S2/c1-2-34-21-9-12-23-24(19-21)35-26(27-23)29-17-15-28(16-18-29)25(31)20-7-10-22(11-8-20)36(32,33)30-13-5-3-4-6-14-30/h7-12,19H,2-6,13-18H2,1H3