ethyl N-[4-phenyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate

Systemtic Name: ethyl N-[4-phenyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate Openeye Name: ethyl N-[2-(3-isopropylsulfonylpiperazin-1-yl)-4-phenyl-phenyl]sulfamate CAS Name: N-[4-phenyl-2-(3-propan-2-ylsulfonyl-1-piperazinyl)phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[4-phenyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[2-(3-isopropylsulfonylpiperazino)-4-phenyl-phenyl]sulfamic acid ethyl ester Formula: C21H29N3O5S2 MolecularWeight: 467.60206

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H29N3O5S2/c1-4-29-31(27,28)23-19-11-10-18(17-8-6-5-7-9-17)14-20(19)24-13-12-22-21(15-24)30(25,26)16(2)3/h5-11,14,16,21-23H,4,12-13,15H2,1-3H3