1-[4-[ethyl-[1-[2-(1,3-thiazol-2-ylsulfonyl)phenyl]propan-2-yl]amino]butyl]-4-pyridin-3-ylsulfonyl-piperazin-2-one

Systemtic Name: 1-[4-[ethyl-[1-[2-(1,3-thiazol-2-ylsulfonyl)phenyl]propan-2-yl]amino]butyl]-4-pyridin-3-ylsulfonyl-piperazin-2-one Openeye Name: 1-[4-[ethyl-[1-methyl-2-(2-thiazol-2-ylsulfonylphenyl)ethyl]amino]butyl]-4-(3-pyridylsulfonyl)piperazin-2-one CAS Name: 1-[4-[ethyl-[1-[2-(2-thiazolylsulfonyl)phenyl]propan-2-yl]amino]butyl]-4-(3-pyridinylsulfonyl)-2-piperazinone IUPAC Name: 1-[4-[ethyl-[1-[2-(1,3-thiazol-2-ylsulfonyl)phenyl]propan-2-yl]amino]butyl]-4-pyridin-3-ylsulfonylpiperazin-2-one Traditional Name: 1-[4-[ethyl-[1-methyl-2-(2-thiazol-2-ylsulfonylphenyl)ethyl]amino]butyl]-4-(3-pyridylsulfonyl)piperazin-2-one Formula: C27H35N5O5S3 MolecularWeight: 605.7923

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCN(CC1=O)S(=O)(=O)C2=CN=CC=C2)C(C)CC3=CC=CC=C3S(=O)(=O)C4=NC=CS4

Isomeric SMILES

CCN(CCCCN1CCN(CC1=O)S(=O)(=O)C2=CN=CC=C2)C(C)CC3=CC=CC=C3S(=O)(=O)C4=NC=CS4

InChI

InChI=1S/C27H35N5O5S3/c1-3-30(22(2)19-23-9-4-5-11-25(23)39(34,35)27-29-13-18-38-27)14-6-7-15-31-16-17-32(21-26(31)33)40(36,37)24-10-8-12-28-20-24/h4-5,8-13,18,20,22H,3,6-7,14-17,19,21H2,1-2H3