[5-methylsulfonyl-4-[[1-(phenylmethyl)piperidin-4-yl]amino]-2-(2-pyrrolidin-1-ylethylamino)phenyl]-piperidin-1-yl-methanone

Systemtic Name: [5-methylsulfonyl-4-[[1-(phenylmethyl)piperidin-4-yl]amino]-2-(2-pyrrolidin-1-ylethylamino)phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[(1-benzyl-4-piperidyl)amino]-5-methylsulfonyl-2-(2-pyrrolidin-1-ylethylamino)phenyl]-(1-piperidyl)methanone CAS Name: [5-methylsulfonyl-4-[[1-(phenylmethyl)-4-piperidinyl]amino]-2-[2-(1-pyrrolidinyl)ethylamino]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[(1-benzylpiperidin-4-yl)amino]-5-methylsulfonyl-2-(2-pyrrolidin-1-ylethylamino)phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[(1-benzyl-4-piperidyl)amino]-5-mesyl-2-(2-pyrrolidinoethylamino)phenyl]-piperidino-methanone Formula: C31H45N5O3S MolecularWeight: 567.7857

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N2CCCCC2)NCCN3CCCC3)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N2CCCCC2)NCCN3CCCC3)NC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H45N5O3S/c1-40(38,39)30-22-27(31(37)36-17-6-3-7-18-36)28(32-14-21-34-15-8-9-16-34)23-29(30)33-26-12-19-35(20-13-26)24-25-10-4-2-5-11-25/h2,4-5,10-11,22-23,26,32-33H,3,6-9,12-21,24H2,1H3