2-[1-[4-(azepan-1-ylsulfonyl)-3-methoxy-phenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[4-(azepan-1-ylsulfonyl)-3-methoxy-phenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[4-(azepan-1-ylsulfonyl)-3-methoxy-phenyl]sulfonyl-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[4-(1-azepanylsulfonyl)-3-methoxyphenyl]sulfonyl-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-[4-(azepan-1-ylsulfonyl)-3-methoxyphenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[4-(azepan-1-ylsulfonyl)-3-methoxy-phenyl]sulfonyl-4-piperidyl]-1,3-benzothiazole Formula: C25H31N3O5S3 MolecularWeight: 549.72574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C25H31N3O5S3/c1-33-22-18-20(10-11-24(22)36(31,32)27-14-6-2-3-7-15-27)35(29,30)28-16-12-19(13-17-28)25-26-21-8-4-5-9-23(21)34-25/h4-5,8-11,18-19H,2-3,6-7,12-17H2,1H3