[4-(phenylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone

Systemtic Name: [4-(phenylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone Openeye Name: (4-benzyl-1-piperidyl)-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone CAS Name: [4-(phenylmethyl)-1-piperidinyl]-[4-(1-pyrrolidinylsulfonyl)-1H-pyrrol-2-yl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone Traditional Name: (4-benzylpiperidino)-(4-pyrrolidinosulfonyl-1H-pyrrol-2-yl)methanone Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N3O3S/c25-21(20-15-19(16-22-20)28(26,27)24-10-4-5-11-24)23-12-8-18(9-13-23)14-17-6-2-1-3-7-17/h1-3,6-7,15-16,18,22H,4-5,8-14H2