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

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(1,3-benzothiazol-2-yl)piperidino]methanone Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H29N3O3S2/c29-25(20-9-11-21(12-10-20)33(30,31)28-15-5-1-2-6-16-28)27-17-13-19(14-18-27)24-26-22-7-3-4-8-23(22)32-24/h3-4,7-12,19H,1-2,5-6,13-18H2