5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[1-(phenylmethyl)piperidin-4-yl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[1-(phenylmethyl)piperidin-4-yl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(1-benzyl-4-piperidyl)-2-chloro-benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[1-(phenylmethyl)-4-piperidinyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(1-benzylpiperidin-4-yl)-2-chlorobenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(1-benzyl-4-piperidyl)-2-chloro-benzamide Formula: C25H32ClN3O3S MolecularWeight: 490.05788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H32ClN3O3S/c26-24-11-10-22(33(31,32)29-14-6-1-2-7-15-29)18-23(24)25(30)27-21-12-16-28(17-13-21)19-20-8-4-3-5-9-20/h3-5,8-11,18,21H,1-2,6-7,12-17,19H2,(H,27,30)