N1-(4-phenylbutyl)-4,6-bis(piperidin-1-ylsulfonyl)-N3-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine

Systemtic Name: N1-(4-phenylbutyl)-4,6-bis(piperidin-1-ylsulfonyl)-N3-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine Openeye Name: N1-(4-phenylbutyl)-4,6-bis(1-piperidylsulfonyl)-N3-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine CAS Name: N1-(4-phenylbutyl)-4,6-bis(1-piperidinylsulfonyl)-N3-[2-(1-pyrrolidinyl)ethyl]benzene-1,3-diamine IUPAC Name: 1-N-(4-phenylbutyl)-4,6-bis(piperidin-1-ylsulfonyl)-3-N-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine Traditional Name: [2,4-bis(piperidinosulfonyl)-5-(2-pyrrolidinoethylamino)phenyl]-(4-phenylbutyl)amine Formula: C32H49N5O4S2 MolecularWeight: 631.89256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2NCCCCC3=CC=CC=C3)NCCN4CCCC4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2NCCCCC3=CC=CC=C3)NCCN4CCCC4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C32H49N5O4S2/c38-42(39,36-21-8-2-9-22-36)31-27-32(43(40,41)37-23-10-3-11-24-37)30(34-18-25-35-19-12-13-20-35)26-29(31)33-17-7-6-16-28-14-4-1-5-15-28/h1,4-5,14-15,26-27,33-34H,2-3,6-13,16-25H2