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

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone Traditional Name: [3-(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=CC(=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

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

InChI

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